4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol

C10H13ClFNO — CID 103047775

IUPAC4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol
SMILESNCCC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO/c11-8-1-2-10(12)7(5-8)6-9(14)3-4-13/h1-2,5,9,14H,3-4,6,13H2
InChIKeyJBZDFJASRLWIAE-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol

4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol (PubChem CID 103047775) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol
PubChem CID103047775
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol
SMILESNCCC(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO/c11-8-1-2-10(12)7(5-8)6-9(14)3-4-13/h1-2,5,9,14H,3-4,6,13H2
InChIKeyJBZDFJASRLWIAE-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-1-(3-chlorophenyl)propan-1-ol
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3-Amino-2-(4-chlorophenyl)propan-1-ol
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2-Amino-1-(3-chlorophenyl)ethan-1-ol hydrochloride
CID 13117567
(1s)-2-Amino-1-(4-Chlorophenyl)ethan-1-Ol
CID 7015635
(R)-2-Amino-1-(3-chlorophenyl)ethanol
CID 9920489
2-Amino-1-(2-chlorophenyl)ethanol
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Phenethyl alcohol, m-chloro-alpha-((isopropylamino)methyl)-, hydrochloride
CID 211302
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol (CID 103047775) is 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol is NCCC(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol?
The InChIKey is JBZDFJASRLWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c11-8-1-2-10(12)7(5-8)6-9(14)3-4-13/h1-2,5,9,14H,3-4,6,13H2.
What are the key properties of 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol?
4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 103047775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).