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5,5,6,6,6-Pentafluorohexan-1-ol

CAT: 0926-ICA55645Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-ICA55645Size:10 g
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CAS Number
58556-45-9
MDL Number
MFCD06248629
Smiles
C (CCO) CC (C (F) (F) F) (F) F
Molecular Formula
C6H9F5O
Molecular Weight
192.13 g/mol
Controlled
No

Chemical Information

5,5,6,6,6-Pentafluorohexan-1-ol
CAS Number58556-45-9
PubChem CID2769663
IUPAC Name5,5,6,6,6-pentafluorohexan-1-ol
Molecular FormulaC6H9F5O
Molecular Weight192.13
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
C(CCO)CC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H9F5O/c7-5(8,6(9,10)11)3-1-2-4-12/h12H,1-4H2
InChIKey
UEKOJSYLWJADHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5,6,6,6-Pentafluorohexan-1-ol
CAS: 58556-45-9
CID: 2769663
Formula: C6H9F5O
MW: 192.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.13
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass192.05735572
Monoisotopic Mass192.05735572
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-3190995,5,6,6,6-Pentafluorohexan-1-ol
PC1073433-Iodo-5,5,6,6,6-pentafluorohexan-1-ol
sc-2621984,4,5,5,6,6,6-Heptafluorohexan-1-ol
sc-3190915,5-Bis (trifluoromethyl) - 6,6,6-trifluoro-hexan-1-ol
PC511074,4,5,5,6,6,6-Heptafluoro-2-iodohexan-1-ol
sc-2621974,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
PC4807H4,5,5,6,6,6-Hexafluoro-4- (trifluoromethyl) hexan-1-ol
PC6085-013,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol
OR78148-015-Bromoquinolin-6-ol
437872-016-Aminoisoquinolin-5-ol

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