2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline

C13H16F3N — CID 43107214

IUPAC2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-9(7-8)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyWIIUPWOYIIUUTH-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.09
Rot. Bonds2

About 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline

2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline (PubChem CID 43107214) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
PubChem CID43107214
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C13H16F3N/c1-8-3-2-4-9(7-8)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3
InChIKeyWIIUPWOYIIUUTH-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

2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 62533166
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
4-tert-butyl-N-(2,3,4-trifluorophenyl)cycloheptan-1-amine
CID 65090950
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline (CID 43107214) is 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline?
The InChIKey is WIIUPWOYIIUUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-3-2-4-9(7-8)17-11-6-5-10(14)12(15)13(11)16/h5-6,8-9,17H,2-4,7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline?
2,3,4-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 2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43107214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).