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

C10H13ClFNO — CID 130804035

IUPAC2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-8(13)10(14)6-4-3-5-7(12)9(6)11/h3-5,8,10,14H,2,13H2,1H3
InChIKeyITKWBYVHQZEERL-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.25
Rot. Bonds3

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

2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol (PubChem CID 130804035) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
PubChem CID130804035
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-8(13)10(14)6-4-3-5-7(12)9(6)11/h3-5,8,10,14H,2,13H2,1H3
InChIKeyITKWBYVHQZEERL-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
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(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
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3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
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(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
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2-chloro-1-fluoro-3-pentan-2-ylbenzene
CID 166688461
[1-(2-chloro-3-fluorophenyl)-3-ethylpentyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol?
The IUPAC name of 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol (CID 130804035) is 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol is CCC(N)C(O)c1cccc(F)c1Cl.
What is the InChIKey of 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol?
The InChIKey is ITKWBYVHQZEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-8(13)10(14)6-4-3-5-7(12)9(6)11/h3-5,8,10,14H,2,13H2,1H3.
What are the key properties of 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol?
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol is sourced from PubChem (CID 130804035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).