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

C3H2F6O — CID 13529

IUPAC1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKeyBYEAHWXPCBROCE-UHFFFAOYSA-N
MW168.04 g/mol
LogP1.47
Rot. Bonds

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

1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13529) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13529
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKeyBYEAHWXPCBROCE-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13529) is 1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BYEAHWXPCBROCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-ol?
1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 168.04 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).