N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline

C14H18F3N — CID 11076093

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h2,5-6,9-11,13,18H,1,3-4,7-8H2
InChIKeyQSCILGHGBAGWAM-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.61
Rot. Bonds3

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline

N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline (PubChem CID 11076093) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
PubChem CID11076093
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h2,5-6,9-11,13,18H,1,3-4,7-8H2
InChIKeyQSCILGHGBAGWAM-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline (CID 11076093) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline is FC(F)(F)C(Nc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline?
The InChIKey is QSCILGHGBAGWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)13(11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h2,5-6,9-11,13,18H,1,3-4,7-8H2.
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline has a molecular weight of 257.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 11076093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).