3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol

C9H11ClFNO — CID 81262700

IUPAC3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)11)8(13)4-5-12/h1-3,8,13H,4-5,12H2
InChIKeySZGPMFUVRXLZJF-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol

3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol (PubChem CID 81262700) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
PubChem CID81262700
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)11)8(13)4-5-12/h1-3,8,13H,4-5,12H2
InChIKeySZGPMFUVRXLZJF-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71254848
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1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
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CID 54426127
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
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1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1S,3S)-3-amino-1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237008
(1S,3R)-3-amino-1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237314
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
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1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol (CID 81262700) is 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol is NCCC(O)c1cccc(Cl)c1F.
What is the InChIKey of 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol?
The InChIKey is SZGPMFUVRXLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-7-3-1-2-6(9(7)11)8(13)4-5-12/h1-3,8,13H,4-5,12H2.
What are the key properties of 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol?
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol has a molecular weight of 203.64 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 81262700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).