1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol

C15H12ClF3O — CID 103039094

IUPAC1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF3O/c1-15(20,10-5-11(17)7-12(18)6-10)8-9-2-3-14(19)13(16)4-9/h2-7,20H,8H2,1H3
InChIKeyUEYMOOGSKOTKAU-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol

1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol (PubChem CID 103039094) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
PubChem CID103039094
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12ClF3O/c1-15(20,10-5-11(17)7-12(18)6-10)8-9-2-3-14(19)13(16)4-9/h2-7,20H,8H2,1H3
InChIKeyUEYMOOGSKOTKAU-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol (CID 103039094) is 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol is CC(O)(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol?
The InChIKey is UEYMOOGSKOTKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-15(20,10-5-11(17)7-12(18)6-10)8-9-2-3-14(19)13(16)4-9/h2-7,20H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol?
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol has a molecular weight of 300.71 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 103039094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).