(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol

C9H9ClF2O — CID 146430638

IUPAC(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
SMILESO[C@H](CCCl)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9ClF2O/c10-2-1-9(13)6-3-7(11)5-8(12)4-6/h3-5,9,13H,1-2H2/t9-/m1/s1
InChIKeyGCWYIIPGPAMLFZ-SECBINFHSA-N
MW206.62 g/mol
LogP2.63
Rot. Bonds3

About (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol

(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol (PubChem CID 146430638) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
PubChem CID146430638
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
SMILESO[C@H](CCCl)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9ClF2O/c10-2-1-9(13)6-3-7(11)5-8(12)4-6/h3-5,9,13H,1-2H2/t9-/m1/s1
InChIKeyGCWYIIPGPAMLFZ-SECBINFHSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(3,5-difluorophenyl)butane-1,2-diol
CID 171893381
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
CID 11480918
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
4-chloro-2-(3,5-difluorophenyl)butanoic acid
CID 90987442
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
(3,5-difluorophenyl)methanediol
CID 142893041
1-(3-chloro-5-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114454141

Frequently Asked Questions

What is the IUPAC name of (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol (CID 146430638) is (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol is O[C@H](CCCl)c1cc(F)cc(F)c1.
What is the InChIKey of (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is GCWYIIPGPAMLFZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H9ClF2O/c10-2-1-9(13)6-3-7(11)5-8(12)4-6/h3-5,9,13H,1-2H2/t9-/m1/s1.
What are the key properties of (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol?
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 146430638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).