6- (Perfluoro-7-methyloctyl) hexan-1-ol

CAT: 0127-PC7021Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

390410-82-9

MDL Number

MFCD00236079

Purity

=95%

Smiles

OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F

Chemical Information

7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol

CAS Number	390410-82-9
PubChem CID	2776233
IUPAC Name	7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
Molecular Formula	C15H13F19O
Molecular Weight	570.23
XLogP	8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	12
Heavy Atom Count	35
Formal Charge	0
Complexity	690

SMILES

C(CCCO)CCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2

InChIKey

NLUBBCMDGCPSRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 390410-82-9

CID: 2776233

Formula: C15H13F19O

MW: 570.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	570.23
XLogP3	8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	12
Exact Mass	570.0663001
Monoisotopic Mass	570.0663001
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	690
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR90702-01	6- (Benzyloxy) hexan-1-ol
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OR95293-01	6- (Dimethylamino) hexan-1-ol
PC0092	6- (Perfluoroisopropyl) hexan-1-ol
PC0013	6- (Pentafluoroethyl) hexan-1-ol
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Catalog	Name
sc-259027	1H,1H-Perfluoro (3,7-dimethyloctan-1-ol)
LIC70592-01	7-Methyl-1-[ (7-methyloctyl) oxy]octane
90026868	bis (7-Methyloctyl) cyclohexane-1,2-dicarboxylate
sc-503324	1,2-Benzenedicarboxylic Acid 1- (7-Methyloctyl) Ester
GTR19277647-01	1- (7-Hydroxy-4-methyloctyl) 1,2-cyclohexanedicarboxylate
MBS6092936-01	1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester
sc-259022A	1H,1H-Perfluoro-3,6-dioxadecan-1-ol
TRC-B496100-10G	1,2-Bis(7-methyloctyl)cyclohexyl-1,2-dicarboxylate
sc-503325	1,2-Benzenedicarboxylic Acid 1- (7-Methyloctyl) Ester-d4
TRC-B185502-50MG	1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4