2-cyclohexyl-4-(trifluoromethyl)aniline

C13H16F3N — CID 117104242

IUPAC2-cyclohexyl-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)10-6-7-12(17)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,17H2
InChIKeyMLDSSFYUFCGCDN-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.34
Rot. Bonds1

About 2-cyclohexyl-4-(trifluoromethyl)aniline

2-cyclohexyl-4-(trifluoromethyl)aniline (PubChem CID 117104242) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-cyclohexyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-cyclohexyl-4-(trifluoromethyl)aniline
PubChem CID117104242
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-cyclohexyl-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)10-6-7-12(17)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,17H2
InChIKeyMLDSSFYUFCGCDN-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-4-fluoroaniline
CID 15335253
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
CID 117104274
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
2-cyclopentyl-5-(trifluoromethyl)phenol
CID 117104152
4-bromo-2-cyclohexylaniline
CID 117104255
2-cyclohexyloxy-4-(trifluoromethyl)aniline
CID 162679508
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 58591930
2-cyclobutylbenzene-1,4-diamine
CID 57027381
2-cycloheptylsulfanyl-5-(trifluoromethyl)aniline
CID 82927791
2-[2,6-dicyclohexyl-4-(trifluoromethyl)phenyl]pyridine
CID 134842932
2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
CID 105486416
2-cyclopropyl-4-(trifluoromethyl)benzonitrile
CID 90241288

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-cyclohexyl-4-(trifluoromethyl)aniline (CID 117104242) is 2-cyclohexyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-cyclohexyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-cyclohexyl-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(trifluoromethyl)aniline?
The InChIKey is MLDSSFYUFCGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)10-6-7-12(17)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,17H2.
What are the key properties of 2-cyclohexyl-4-(trifluoromethyl)aniline?
2-cyclohexyl-4-(trifluoromethyl)aniline has a molecular weight of 243.27 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 117104242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).