N-cyclohexyl-4-(trifluoromethyl)aniline

C13H16F3N — CID 10490412

IUPACN-cyclohexyl-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C13H16F3N/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11,17H,1-5H2
InChIKeySUKMDCITHRQTAQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.45
Rot. Bonds2

About N-cyclohexyl-4-(trifluoromethyl)aniline

N-cyclohexyl-4-(trifluoromethyl)aniline (PubChem CID 10490412) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-cyclohexyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-4-(trifluoromethyl)aniline
PubChem CID10490412
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-cyclohexyl-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C13H16F3N/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11,17H,1-5H2
InChIKeySUKMDCITHRQTAQ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-cyclohexyl-4-(trifluoromethyl)aniline (CID 10490412) is N-cyclohexyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-cyclohexyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-cyclohexyl-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(trifluoromethyl)aniline?
The InChIKey is SUKMDCITHRQTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11,17H,1-5H2.
What are the key properties of N-cyclohexyl-4-(trifluoromethyl)aniline?
N-cyclohexyl-4-(trifluoromethyl)aniline has a molecular weight of 243.27 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 10490412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).