(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol

C3H2F6O — CID 26343944

IUPAC(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESO[C@](F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1(5)2(6,10)3(7,8)9/h1,10H/t2-/m1/s1
InChIKeyNMFQPFSIPWZZMR-UWTATZPHSA-N
MW168.04 g/mol
LogP1.47
Rot. Bonds1

About (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol

(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol (PubChem CID 26343944) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol
PubChem CID26343944
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESO[C@](F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1(5)2(6,10)3(7,8)9/h1,10H/t2-/m1/s1
InChIKeyNMFQPFSIPWZZMR-UWTATZPHSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol?
The IUPAC name of (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol (CID 26343944) is (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol?
The canonical SMILES for (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol is O[C@](F)(C(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol?
The InChIKey is NMFQPFSIPWZZMR-UWTATZPHSA-N. The full InChI is InChI=1S/C3H2F6O/c4-1(5)2(6,10)3(7,8)9/h1,10H/t2-/m1/s1.
What are the key properties of (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol?
(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol has a molecular weight of 168.04 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,2,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 26343944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).