N-cyclohexyl-3,4,5-trifluoroaniline

C12H14F3N — CID 62810275

IUPACN-cyclohexyl-3,4,5-trifluoroaniline
SMILESFc1cc(NC2CCCCC2)cc(F)c1F
InChIInChI=1S/C12H14F3N/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2
InChIKeyGRGGMWKAWCYPTL-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.85
Rot. Bonds2

About N-cyclohexyl-3,4,5-trifluoroaniline

N-cyclohexyl-3,4,5-trifluoroaniline (PubChem CID 62810275) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-cyclohexyl-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-cyclohexyl-3,4,5-trifluoroaniline
PubChem CID62810275
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-cyclohexyl-3,4,5-trifluoroaniline
SMILESFc1cc(NC2CCCCC2)cc(F)c1F
InChIInChI=1S/C12H14F3N/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2
InChIKeyGRGGMWKAWCYPTL-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.85
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

1-methyl-N-(3,4,5-trifluorophenyl)azepan-4-amine
CID 65070702
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
1-oxo-N-(3,4,5-trifluorophenyl)thian-4-amine
CID 62808780
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
1-cyclohexyl-3-(3,4,5-trifluorophenyl)thiourea
CID 115645245
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-(3,4,5-trifluorophenyl)oxolan-3-amine
CID 63335709
N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570813
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
CID 94872516

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4,5-trifluoroaniline?
The IUPAC name of N-cyclohexyl-3,4,5-trifluoroaniline (CID 62810275) is N-cyclohexyl-3,4,5-trifluoroaniline.
What is the SMILES notation for N-cyclohexyl-3,4,5-trifluoroaniline?
The canonical SMILES for N-cyclohexyl-3,4,5-trifluoroaniline is Fc1cc(NC2CCCCC2)cc(F)c1F.
What is the InChIKey of N-cyclohexyl-3,4,5-trifluoroaniline?
The InChIKey is GRGGMWKAWCYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2.
What are the key properties of N-cyclohexyl-3,4,5-trifluoroaniline?
N-cyclohexyl-3,4,5-trifluoroaniline has a molecular weight of 229.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4,5-trifluoroaniline is sourced from PubChem (CID 62810275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).