1,1,1,2,3,3-hexafluoropropan-2-ol

C6H4F12O2 — CID 139503126

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESOC(F)(C(F)F)C(F)(F)F.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/2C3H2F6O/c2*4-1(5)2(6,10)3(7,8)9/h2*1,10H
InChIKeyOYEADPMTCQJIDP-UHFFFAOYSA-N
MW336.07 g/mol
LogP2.94
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoropropan-2-ol

1,1,1,2,3,3-hexafluoropropan-2-ol (PubChem CID 139503126) has the molecular formula C6H4F12O2 and a molecular weight of 336.07 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-ol
PubChem CID139503126
Molecular FormulaC6H4F12O2
Molecular Weight336.07 g/mol
Exact Mass336.00
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESOC(F)(C(F)F)C(F)(F)F.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/2C3H2F6O/c2*4-1(5)2(6,10)3(7,8)9/h2*1,10H
InChIKeyOYEADPMTCQJIDP-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,2,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol (CID 139503126) is 1,1,1,2,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-ol is OC(F)(C(F)F)C(F)(F)F.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol?
The InChIKey is OYEADPMTCQJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H2F6O/c2*4-1(5)2(6,10)3(7,8)9/h2*1,10H.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-ol?
1,1,1,2,3,3-hexafluoropropan-2-ol has a molecular weight of 336.07 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 139503126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).