1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol

C9H8ClF3O — CID 61100888

IUPAC1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKeyKFULPSDZEIHRRE-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.33
Rot. Bonds2

About 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol

1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol (PubChem CID 61100888) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol
PubChem CID61100888
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKeyKFULPSDZEIHRRE-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol (CID 61100888) is 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is KFULPSDZEIHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol?
1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 224.61 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 61100888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).