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

C10H13ClFNO — CID 114852702

IUPAC4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
SMILESNCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c11-8-2-1-7(10(12)6-8)5-9(14)3-4-13/h1-2,6,9,14H,3-5,13H2
InChIKeyVQFZPNJPBQXPJX-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.73
Rot. Bonds4

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

4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol (PubChem CID 114852702) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
PubChem CID114852702
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
SMILESNCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c11-8-2-1-7(10(12)6-8)5-9(14)3-4-13/h1-2,6,9,14H,3-5,13H2
InChIKeyVQFZPNJPBQXPJX-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

1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105132898
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
CID 67017142

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol (CID 114852702) is 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol is NCCC(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol?
The InChIKey is VQFZPNJPBQXPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c11-8-2-1-7(10(12)6-8)5-9(14)3-4-13/h1-2,6,9,14H,3-5,13H2.
What are the key properties of 4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol?
4-amino-1-(4-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-(4-chloro-2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 114852702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).