2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C21H12ClF7O — CID 46180961

IUPAC2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(-c2ccccc2)c(-c2ccc(F)c(Cl)c2)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H12ClF7O/c22-17-10-13(6-9-18(17)23)16-11-14(19(30,20(24,25)26)21(27,28)29)7-8-15(16)12-4-2-1-3-5-12/h1-11,30H
InChIKeyCPNVZTGFSPSYQR-UHFFFAOYSA-N
MW448.77 g/mol
LogP7.13
Rot. Bonds3

About 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 46180961) has the molecular formula C21H12ClF7O and a molecular weight of 448.77 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID46180961
Molecular FormulaC21H12ClF7O
Molecular Weight448.77 g/mol
Exact Mass448.05
IUPAC Name2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(-c2ccccc2)c(-c2ccc(F)c(Cl)c2)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H12ClF7O/c22-17-10-13(6-9-18(17)23)16-11-14(19(30,20(24,25)26)21(27,28)29)7-8-15(16)12-4-2-1-3-5-12/h1-11,30H
InChIKeyCPNVZTGFSPSYQR-UHFFFAOYSA-N
XLogP7.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.77
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

Bis(4-chlorophenyl)-(3-fluorophenyl)methanol
CID 2758117
2-(3-Chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493191
4-Chloro-2-phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 70902688
2-(4-Chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492512
2-(3,5-Dichlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492726
2-(2-Chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493160
1-(3-Chlorophenyl)-1-(3,5-difluorophenyl)octan-1-ol
CID 70688911
1-(3-Chlorophenyl)-1-(3,4-difluorophenyl)octan-1-ol
CID 70690999
1-[3,5-Bis(trifluoromethyl)phenyl]-1-(3-chlorophenyl)octan-1-ol
CID 70691000
(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 89157740
Triphenylcarbinol, 3,3',3''-trichloro-
CID 54275078
(3-Chlorophenyl)diphenylmethanol
CID 3802745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 46180961) is 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(-c2ccccc2)c(-c2ccc(F)c(Cl)c2)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CPNVZTGFSPSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF7O/c22-17-10-13(6-9-18(17)23)16-11-14(19(30,20(24,25)26)21(27,28)29)7-8-15(16)12-4-2-1-3-5-12/h1-11,30H.
What are the key properties of 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 448.77 g/mol, XLogP of 7.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 46180961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).