1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol

C9H5F7O — CID 520085

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol
SMILESOC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyVFFCPASLKRVTCD-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.14
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol (PubChem CID 520085) has the molecular formula C9H5F7O and a molecular weight of 262.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol
PubChem CID520085
Molecular FormulaC9H5F7O
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol
SMILESOC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyVFFCPASLKRVTCD-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.14
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-hexafluoro-2-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol (CID 520085) is 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol is OC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol?
The InChIKey is VFFCPASLKRVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 262.12 g/mol, XLogP of 3.14, 1 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-hexafluoro-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 520085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).