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

C15H12ClF3O — CID 82920732

IUPAC1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(F)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClF3O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-13(17)14(18)7-9/h1-5,7,11,20H,6,8H2
InChIKeyQLQDWDDJDNUUKV-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.90
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol (PubChem CID 82920732) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
PubChem CID82920732
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(F)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClF3O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-13(17)14(18)7-9/h1-5,7,11,20H,6,8H2
InChIKeyQLQDWDDJDNUUKV-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol (CID 82920732) is 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol is OC(Cc1ccc(F)c(F)c1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol?
The InChIKey is QLQDWDDJDNUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c16-12-3-1-2-10(15(12)19)8-11(20)6-9-4-5-13(17)14(18)7-9/h1-5,7,11,20H,6,8H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol has a molecular weight of 300.71 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 82920732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).