4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline

C14H16F5NO — CID 64758057

IUPAC4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C14H16F5NO/c15-13(16)21-10-7-5-9(6-8-10)20-12-4-2-1-3-11(12)14(17,18)19/h5-8,11-13,20H,1-4H2
InChIKeyVUXSWIBYGVBDRP-UHFFFAOYSA-N
MW309.28 g/mol
LogP4.82
Rot. Bonds4

About 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline

4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758057) has the molecular formula C14H16F5NO and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758057
Molecular FormulaC14H16F5NO
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESFC(F)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C14H16F5NO/c15-13(16)21-10-7-5-9(6-8-10)20-12-4-2-1-3-11(12)14(17,18)19/h5-8,11-13,20H,1-4H2
InChIKeyVUXSWIBYGVBDRP-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758678
4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
CID 79828523
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
4-bromo-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 82857596
3,5-dichloro-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572992
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046803
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
CID 102732976
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
N-[2-(trifluoromethyl)cyclohexyl]-1,3-benzothiazol-6-amine
CID 107804070
2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
CID 62742030
[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
CID 64759496

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64758057) is 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline is FC(F)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is VUXSWIBYGVBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5NO/c15-13(16)21-10-7-5-9(6-8-10)20-12-4-2-1-3-11(12)14(17,18)19/h5-8,11-13,20H,1-4H2.
What are the key properties of 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline?
4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 309.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).