2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline

C15H20F3N — CID 107447775

IUPAC2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H20F3N/c1-9(2)10-4-3-5-11(8-10)19-13-7-6-12(16)14(17)15(13)18/h6-7,9-11,19H,3-5,8H2,1-2H3
InChIKeyMWERAJWFDIXLML-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.73
Rot. Bonds3

About 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline

2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447775) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447775
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H20F3N/c1-9(2)10-4-3-5-11(8-10)19-13-7-6-12(16)14(17)15(13)18/h6-7,9-11,19H,3-5,8H2,1-2H3
InChIKeyMWERAJWFDIXLML-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.73
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-methylcyclohexyl)aniline
CID 43107214
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673
4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447847
4-tert-butyl-N-(2,3,4-trifluorophenyl)cycloheptan-1-amine
CID 65090950
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
methyl 2-fluoro-5-[(3-propan-2-ylcyclohexyl)amino]benzoate
CID 107448128
N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
CID 113489683
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447775) is 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCC(Nc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is MWERAJWFDIXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-9(2)10-4-3-5-11(8-10)19-13-7-6-12(16)14(17)15(13)18/h6-7,9-11,19H,3-5,8H2,1-2H3.
What are the key properties of 2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline?
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 271.33 g/mol, XLogP of 4.73, 3 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-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).