(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H15ClF3NO — CID 104622846

IUPAC(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESNc1ccc(C(=O)C2CCCCC2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3NO/c15-11-7-8(5-6-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h5-7,9-10H,1-4,19H2
InChIKeyQHXHERQBXPUESF-UHFFFAOYSA-N
MW305.73 g/mol
LogP4.47
Rot. Bonds2

About (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622846) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622846
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESNc1ccc(C(=O)C2CCCCC2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3NO/c15-11-7-8(5-6-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h5-7,9-10H,1-4,19H2
InChIKeyQHXHERQBXPUESF-UHFFFAOYSA-N
XLogP4.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105078684
(4-amino-3-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64906044
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105081172
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
2-(4-chloro-3-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004288
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622846) is (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is Nc1ccc(C(=O)C2CCCCC2C(F)(F)F)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is QHXHERQBXPUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO/c15-11-7-8(5-6-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h5-7,9-10H,1-4,19H2.
What are the key properties of (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 305.73 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).