4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

C14H17F4N — CID 64757052

IUPAC4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(F)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17F4N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyWNNAGEZEYGRJDC-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.67
Rot. Bonds2

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

4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64757052) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64757052
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(F)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17F4N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyWNNAGEZEYGRJDC-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64759514
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
N-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503196
2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 107803664

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64757052) is 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is Cc1cc(F)ccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is WNNAGEZEYGRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 275.29 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64757052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).