Perfluoro (4-isopropyltoluene)

CAT: 0127-PC9376Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

20017-49-6

Synonyms

3-Perfluoroisopropyl-1,2,4,5-tetrafluorobenzotrifluoride

MDL Number

MFCD00155962

Purity

=95%

Smiles

Fc1c(F)c(c(F)c(F)c1C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F

Chemical Information

4-(Heptafluoroisopropyl)tetrafluorobenzotrifluoride

CAS Number	20017-49-6
PubChem CID	2776193
IUPAC Name	1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
Molecular Formula	C10F14
Molecular Weight	386.08
XLogP	5.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	416

SMILES

C1(=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)C(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18

InChIKey

CKGPOWZUEZFLPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20017-49-6

CID: 2776193

Formula: C10F14

MW: 386.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.08
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	1
Exact Mass	385.9776443
Monoisotopic Mass	385.9776443
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	416
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
OR1098960	3-Bromo-5-isopropyltoluene
PC3061-01	Perfluoro-4-aminobiphenyl
PC6682	Perfluoro (4,4'-diphenoxybiphenyl)
PC0506	Perfluoro-4-methylbenzoic acid
PC108354	Perfluoro-2,4-dimethylheptane
PC108211	Sodium perfluoro (4-methoxybutanoate)
PC10025-01	Perfluoro (1,4-dimethylbenzene)
PC6491-01	Perfluoro-4-methoxybutanoic acid
PC6471	1H-Perfluoro (4-oxapentane)
PC6680	Perfluoro (1,4-diphenoxybenzene)

Catalog	Name
TRC-P626080-50MG	Perfluoro-4-methoxybutanoic Acid
FP81429-01	Perfluoro (1,4-Dimethylcyclohexane)
FP86989-01	Perfluoro-N- (4-methylcyclohexyl) piperidine
sc-338384	Perfluoro[1- (4-methylcyclohexyl) piperidine]
AR-P30915-01	Perfluoro (4-Methylpent-2-Ene)
GTR19236073-01	4-azidomethylbenzyl-perfluoro-t-butyl ether
AR-F09745-01	4,8-Dioxa-3H-Perfluoro-Nonanoic Acid
194999-85-4	Bis (4-tert- butylphenyl) iodonium perfluoro-1- butanesulfonate
sc-358512	Potassium perfluoro (4-methyl-3,6-dioxooctane) sulphonate
sc-264027	Perfluoro (4-methyl-3,6-dioxaoctane) sulphonyl fluoride