3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline

C13H16F3N — CID 62810702

IUPAC3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-9(5-8)17-10-6-11(14)13(16)12(15)7-10/h6-9,17H,2-5H2,1H3
InChIKeyVHANPHQEVMUXON-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.09
Rot. Bonds2

About 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline

3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline (PubChem CID 62810702) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
PubChem CID62810702
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-9(5-8)17-10-6-11(14)13(16)12(15)7-10/h6-9,17H,2-5H2,1H3
InChIKeyVHANPHQEVMUXON-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3,4,5-trifluoroaniline
CID 62810275
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
CID 43107214
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43715386
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
1-methyl-N-(3,4,5-trifluorophenyl)azepan-4-amine
CID 65070702
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline (CID 62810702) is 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline?
The InChIKey is VHANPHQEVMUXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-3-2-4-9(5-8)17-10-6-11(14)13(16)12(15)7-10/h6-9,17H,2-5H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline?
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline has a molecular weight of 243.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 62810702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).