2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C16H14ClF3O — CID 65145336

IUPAC2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClF3O/c1-15(21,13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9,21H,10H2,1H3
InChIKeyRNBPVZKQAVRSIS-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.81
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 65145336) has the molecular formula C16H14ClF3O and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID65145336
Molecular FormulaC16H14ClF3O
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClF3O/c1-15(21,13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9,21H,10H2,1H3
InChIKeyRNBPVZKQAVRSIS-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 65145336) is 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RNBPVZKQAVRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3O/c1-15(21,13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9,21H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 314.73 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 65145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).