2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile

C14H15F3N2O — CID 62742030

IUPAC2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-5-11(6-8-12)19-13-4-2-1-3-10(13)9-18/h5-8,10,13,19H,1-4H2
InChIKeyQDWCLYRJMQGMIW-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.08
Rot. Bonds3

About 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile

2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile (PubChem CID 62742030) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
PubChem CID62742030
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-5-11(6-8-12)19-13-4-2-1-3-10(13)9-18/h5-8,10,13,19H,1-4H2
InChIKeyQDWCLYRJMQGMIW-UHFFFAOYSA-N
XLogP4.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
CID 102732976
2-anilinocyclohexane-1-carbonitrile
CID 62741639
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
2-(4-propoxyanilino)cycloheptane-1-carbonitrile
CID 62742838
2-anilinocycloheptane-1-carbonitrile
CID 62741640
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
CID 62742212
2-(4-methoxy-3-methylanilino)cyclohexane-1-carbonitrile
CID 62741164
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(3,4,5-trifluoroanilino)cyclopentane-1-carbonitrile
CID 62810465
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile (CID 62742030) is 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile is N#CC1CCCCC1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The InChIKey is QDWCLYRJMQGMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)20-12-7-5-11(6-8-12)19-13-4-2-1-3-10(13)9-18/h5-8,10,13,19H,1-4H2.
What are the key properties of 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile?
2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile has a molecular weight of 284.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62742030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).