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

C9H9ClF2O — CID 116863660

IUPAC2-chloro-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC(Cl)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,13H,1H3
InChIKeyOPYAZAPJOCWQCE-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.63
Rot. Bonds2

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

2-chloro-1-(3,4-difluorophenyl)propan-1-ol (PubChem CID 116863660) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-chloro-1-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(3,4-difluorophenyl)propan-1-ol
PubChem CID116863660
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name2-chloro-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC(Cl)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,13H,1H3
InChIKeyOPYAZAPJOCWQCE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
ethyl 4-(3,4-difluorophenyl)-4-hydroxy-3-methylbutanoate
CID 146576795
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
1-(3,4-difluorophenyl)-3-methylbut-2-en-1-ol
CID 79189575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(3,4-difluorophenyl)propan-1-ol (CID 116863660) is 2-chloro-1-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(3,4-difluorophenyl)propan-1-ol is CC(Cl)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-chloro-1-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is OPYAZAPJOCWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,13H,1H3.
What are the key properties of 2-chloro-1-(3,4-difluorophenyl)propan-1-ol?
2-chloro-1-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 116863660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).