N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline

C15H19F4N — CID 107303637

IUPACN-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1(C)CCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H19F4N/c1-14(2)8-4-3-5-13(14)20-12-7-6-10(9-11(12)16)15(17,18)19/h6-7,9,13,20H,3-5,8H2,1-2H3
InChIKeyUAWTYWCDIGHCBM-UHFFFAOYSA-N
MW289.32 g/mol
LogP5.23
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline

N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107303637) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107303637
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1(C)CCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H19F4N/c1-14(2)8-4-3-5-13(14)20-12-7-6-10(9-11(12)16)15(17,18)19/h6-7,9,13,20H,3-5,8H2,1-2H3
InChIKeyUAWTYWCDIGHCBM-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.32
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline (CID 107303637) is N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline is CC1(C)CCCCC1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is UAWTYWCDIGHCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-14(2)8-4-3-5-13(14)20-12-7-6-10(9-11(12)16)15(17,18)19/h6-7,9,13,20H,3-5,8H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline?
N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 289.32 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).