2-(2-chloro-3,6-difluorophenyl)propan-1-ol

C9H9ClF2O — CID 117295344

IUPAC2-(2-chloro-3,6-difluorophenyl)propan-1-ol
SMILESCC(CO)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H9ClF2O/c1-5(4-13)8-6(11)2-3-7(12)9(8)10/h2-3,5,13H,4H2,1H3
InChIKeyOAJNSXIWYPZHFE-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.71
Rot. Bonds2

About 2-(2-chloro-3,6-difluorophenyl)propan-1-ol

2-(2-chloro-3,6-difluorophenyl)propan-1-ol (PubChem CID 117295344) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-(2-chloro-3,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-3,6-difluorophenyl)propan-1-ol
PubChem CID117295344
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name2-(2-chloro-3,6-difluorophenyl)propan-1-ol
SMILESCC(CO)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C9H9ClF2O/c1-5(4-13)8-6(11)2-3-7(12)9(8)10/h2-3,5,13H,4H2,1H3
InChIKeyOAJNSXIWYPZHFE-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2-chloro-3,6-difluorophenyl)propan-1-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

3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
CID 117281030
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
(1S,2R)-1-amino-1-(2-chloro-3,6-difluorophenyl)-5-methylhexan-2-ol
CID 171269644
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
(1S)-1-(2-chloro-3,6-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131307023
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
3-amino-1-(2-chloro-3,6-difluorophenyl)propane-1,2-diol
CID 170829227
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(2-chloro-3,6-difluorophenyl)propan-1-ol (CID 117295344) is 2-(2-chloro-3,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-chloro-3,6-difluorophenyl)propan-1-ol is CC(CO)c1c(F)ccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3,6-difluorophenyl)propan-1-ol?
The InChIKey is OAJNSXIWYPZHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-5(4-13)8-6(11)2-3-7(12)9(8)10/h2-3,5,13H,4H2,1H3.
What are the key properties of 2-(2-chloro-3,6-difluorophenyl)propan-1-ol?
2-(2-chloro-3,6-difluorophenyl)propan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 117295344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).