1,3-difluoropropan-2-ol

C6H12F4O2 — CID 159459555

IUPAC1,3-difluoropropan-2-ol
SMILESOC(CF)CF.OC(CF)CF
InChIInChI=1S/2C3H6F2O/c2*4-1-3(6)2-5/h2*3,6H,1-2H2
InChIKeyLUKLDNCCETZCMW-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.57
Rot. Bonds4

About 1,3-difluoropropan-2-ol

1,3-difluoropropan-2-ol (PubChem CID 159459555) has the molecular formula C6H12F4O2 and a molecular weight of 192.15 g/mol. Its IUPAC name is 1,3-difluoropropan-2-ol.

Molecular Properties

Compound Name1,3-difluoropropan-2-ol
PubChem CID159459555
Molecular FormulaC6H12F4O2
Molecular Weight192.15 g/mol
Exact Mass192.08
IUPAC Name1,3-difluoropropan-2-ol
SMILESOC(CF)CF.OC(CF)CF
InChIInChI=1S/2C3H6F2O/c2*4-1-3(6)2-5/h2*3,6H,1-2H2
InChIKeyLUKLDNCCETZCMW-UHFFFAOYSA-N
XLogP0.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluorobutan-2-ol
CID 13278453
1-chloro-3-(18F)fluoropropan-2-ol
CID 59622889
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
1-fluorohexan-2-ol
CID 11819078
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248
hexakis(2-fluoroethane-1,1-diol);neodymium;tetrahydrate
CID 5232359

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropan-2-ol?
The IUPAC name of 1,3-difluoropropan-2-ol (CID 159459555) is 1,3-difluoropropan-2-ol.
What is the SMILES notation for 1,3-difluoropropan-2-ol?
The canonical SMILES for 1,3-difluoropropan-2-ol is OC(CF)CF.OC(CF)CF.
What is the InChIKey of 1,3-difluoropropan-2-ol?
The InChIKey is LUKLDNCCETZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6F2O/c2*4-1-3(6)2-5/h2*3,6H,1-2H2.
What are the key properties of 1,3-difluoropropan-2-ol?
1,3-difluoropropan-2-ol has a molecular weight of 192.15 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropan-2-ol is sourced from PubChem (CID 159459555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).