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

C9H9ClF2O — CID 117295346

IUPAC2-(4-chloro-3,5-difluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-5(4-13)6-2-7(11)9(10)8(12)3-6/h2-3,5,13H,4H2,1H3
InChIKeyIORSLLKRVRWQGK-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.71
Rot. Bonds2

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

2-(4-chloro-3,5-difluorophenyl)propan-1-ol (PubChem CID 117295346) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-(4-chloro-3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-3,5-difluorophenyl)propan-1-ol
PubChem CID117295346
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name2-(4-chloro-3,5-difluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-5(4-13)6-2-7(11)9(10)8(12)3-6/h2-3,5,13H,4H2,1H3
InChIKeyIORSLLKRVRWQGK-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_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
CID 117307716
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344
2-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303183
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(4-chloro-3,5-difluorophenyl)propan-1-ol (CID 117295346) is 2-(4-chloro-3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(4-chloro-3,5-difluorophenyl)propan-1-ol is CC(CO)c1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3,5-difluorophenyl)propan-1-ol?
The InChIKey is IORSLLKRVRWQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-5(4-13)6-2-7(11)9(10)8(12)3-6/h2-3,5,13H,4H2,1H3.
What are the key properties of 2-(4-chloro-3,5-difluorophenyl)propan-1-ol?
2-(4-chloro-3,5-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-(4-chloro-3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 117295346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).