2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H9ClF3NO — CID 69109376

IUPAC2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-8(15,9(11,12)13)5-2-3-7(14)6(10)4-5/h2-4,15H,14H2,1H3
InChIKeyYWFXOGHBPFYYBM-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.69
Rot. Bonds1

About 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol

2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 69109376) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID69109376
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c1-8(15,9(11,12)13)5-2-3-7(14)6(10)4-5/h2-4,15H,14H2,1H3
InChIKeyYWFXOGHBPFYYBM-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 577801
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2-(4-Aminophenyl)propan-2-ol
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1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoro-1,1-ethanediol, hydrochloride
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(R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl) benzenemethanol
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1-(2-Amino-5-chlorophenyl)-1-phenylethanol
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2-(4-Amino-3-fluorophenyl)propan-2-ol
CID 70331607
2-(2-Amino-5-chlorophenyl)propan-2-ol
CID 117104067
2-(2-Amino-5-chlorophenyl)-4-phenyl-1,1,1-trifluoro-3-butyn-2-ol
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2-(4-Amino-3'-chloro-4'-fluoro-[1,1'-biphenyl]-3-yl)propan-2-ol
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CID 17603973

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 69109376) is 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is YWFXOGHBPFYYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-8(15,9(11,12)13)5-2-3-7(14)6(10)4-5/h2-4,15H,14H2,1H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.62 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 69109376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).