2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H5ClF6O — CID 519744

IUPAC2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyBDVVJTPJVCAQGG-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.65
Rot. Bonds1

About 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 519744) has the molecular formula C9H5ClF6O and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID519744
Molecular FormulaC9H5ClF6O
Molecular Weight278.58 g/mol
Exact Mass277.99
IUPAC Name2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyBDVVJTPJVCAQGG-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 519744) is 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BDVVJTPJVCAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6O/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 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 278.58 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 519744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).