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

C3HF6O+ — CID 147030608

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESOC(F)([C+](F)F)C(F)(F)F
InChIInChI=1S/C3HF6O/c4-1(5)2(6,10)3(7,8)9/h10H/q+1
InChIKeyVBSCQXMPAKSLKM-UHFFFAOYSA-N
MW167.03 g/mol
LogP1.64
Rot. Bonds1

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

1,1,1,2,3,3-hexafluoropropan-2-ol (PubChem CID 147030608) has the molecular formula C3HF6O+ and a molecular weight of 167.03 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 CID147030608
Molecular FormulaC3HF6O+
Molecular Weight167.03 g/mol
Exact Mass166.99
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol
SMILESOC(F)([C+](F)F)C(F)(F)F
InChIInChI=1S/C3HF6O/c4-1(5)2(6,10)3(7,8)9/h10H/q+1
InChIKeyVBSCQXMPAKSLKM-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.03
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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 147030608) 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.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol?
The InChIKey is VBSCQXMPAKSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O/c4-1(5)2(6,10)3(7,8)9/h10H/q+1.
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 167.03 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 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 147030608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).