1-Propanol, hexafluoro-

C3H2F6O — CID 148644

IUPAC1,1,2,2,3,3-hexafluoropropan-1-ol
SMILESC(C(C(O)(F)F)(F)F)(F)F
InChIInChI=1S/C3H2F6O/c4-1(5)2(6,7)3(8,9)10/h1,10H
InChIKeyYEDDVXZFXSHDIB-UHFFFAOYSA-N
MW168.04 g/mol
LogP1.80
Rot. Bonds2

About 1-Propanol, hexafluoro-

1-Propanol, hexafluoro- (PubChem CID 148644) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropan-1-ol.

Molecular Properties

Compound Name1-Propanol, hexafluoro-
PubChem CID148644
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name1,1,2,2,3,3-hexafluoropropan-1-ol
SMILESC(C(C(O)(F)F)(F)F)(F)F
InChIInChI=1S/C3H2F6O/c4-1(5)2(6,7)3(8,9)10/h1,10H
InChIKeyYEDDVXZFXSHDIB-UHFFFAOYSA-N
XLogP1.80
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms10
Complexity120

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoropropanol
CID 2759273
1,1,2,3,3,3-Hexafluoropropan-1-ol
CID 11665471
Pentafluoropropanol
CID 168785
1,1,2,2-Tetrafluoropropan-1-ol
CID 12757724
1,1,1,2,3,3-Hexafluoro-2-propanol
CID 13350568
1,1,2,2-Tetrafluoroethan-1-ol
CID 14529362
3-Pentafluoropropanol
CID 19006646
1,1,2,2,3,3,4-Heptafluorobutan-1-OL
CID 19037094
Pentafluoro isopropanol
CID 21645339
1,1,3,3-Tetrafluoropropan-1-ol
CID 17763161
1,1,3-Trifluoropropan-1-ol
CID 18319092
1,1,2,2,3,3,4,4-Octafluorobutan-1-ol
CID 18457462

Frequently Asked Questions

What is the IUPAC name of 1-Propanol, hexafluoro-?
The IUPAC name of 1-Propanol, hexafluoro- (CID 148644) is 1,1,2,2,3,3-hexafluoropropan-1-ol.
What is the SMILES notation for 1-Propanol, hexafluoro-?
The canonical SMILES for 1-Propanol, hexafluoro- is C(C(C(O)(F)F)(F)F)(F)F.
What is the InChIKey of 1-Propanol, hexafluoro-?
The InChIKey is YEDDVXZFXSHDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O/c4-1(5)2(6,7)3(8,9)10/h1,10H.
What are the key properties of 1-Propanol, hexafluoro-?
1-Propanol, hexafluoro- has a molecular weight of 168.04 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Propanol, hexafluoro- is sourced from PubChem (CID 148644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).