3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline

C14H17F4N — CID 79055270

IUPAC3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(F)cc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F4N/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3
InChIKeyTYBGXRATPPDRCW-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.67
Rot. Bonds2

About 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline

3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 79055270) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID79055270
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(F)cc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F4N/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3
InChIKeyTYBGXRATPPDRCW-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 79055270) is 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is Cc1cc(F)cc(NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is TYBGXRATPPDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-9-6-11(15)8-13(7-9)19-12-4-2-10(3-5-12)14(16,17)18/h6-8,10,12,19H,2-5H2,1H3.
What are the key properties of 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
3-fluoro-5-methyl-N-[4-(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 3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 79055270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).