4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline

C13H15F3N2O2 — CID 60733842

IUPAC4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESO=[N+]([O-])c1ccc(NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(19)20/h5-10,17H,1-4H2
InChIKeySGLGADYOSHXUOT-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.13
Rot. Bonds3

About 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline

4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 60733842) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID60733842
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESO=[N+]([O-])c1ccc(NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(19)20/h5-10,17H,1-4H2
InChIKeySGLGADYOSHXUOT-UHFFFAOYSA-N
XLogP4.13
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 79754258
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
4-[[4-(trifluoromethyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
CID 107788404
4-bromo-2-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 62896684
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
1-N-(4-nitrophenyl)cyclohexane-1,3-diamine
CID 79459238
N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
CID 43719057
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
CID 79033555
N-[4-(trifluoromethyl)cyclohexyl]-1H-indazol-6-amine
CID 64753657
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
CID 43598872
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 60733842) is 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline is O=[N+]([O-])c1ccc(NC2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is SGLGADYOSHXUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(19)20/h5-10,17H,1-4H2.
What are the key properties of 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline?
4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 288.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 60733842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).