2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline

C15H20F2N2O2 — CID 63735458

IUPAC2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
SMILESCCC1CCCCC1Nc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C15H20F2N2O2/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(19(20)21)9-12(14)15(16)17/h7-10,13,15,18H,2-6H2,1H3
InChIKeyDVDLYUMHAGPQSN-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.91
Rot. Bonds5

About 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline

2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline (PubChem CID 63735458) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
PubChem CID63735458
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
SMILESCCC1CCCCC1Nc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C15H20F2N2O2/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(19(20)21)9-12(14)15(16)17/h7-10,13,15,18H,2-6H2,1H3
InChIKeyDVDLYUMHAGPQSN-UHFFFAOYSA-N
XLogP4.91
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.91
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

2-(difluoromethyl)-N-(3-ethyl-2-methylcyclopentyl)-4-nitroaniline
CID 64923386
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
N-(cyclopentylmethyl)-2-(difluoromethyl)-4-nitroaniline
CID 63750415
2-(difluoromethyl)-N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79871418
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-(difluoromethyl)-N-(3-methylcyclobutyl)-4-nitroaniline
CID 113467291
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
N-[2-(difluoromethyl)-4-nitrophenyl]-1,1-dioxothian-4-amine
CID 63749163
N-(2-cyclopentyloxyethyl)-2-(difluoromethyl)-4-nitroaniline
CID 63828426
1-N-[2-(difluoromethyl)-4-nitrophenyl]cyclobutane-1,3-diamine
CID 63735977
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline?
The IUPAC name of 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline (CID 63735458) is 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline?
The canonical SMILES for 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline is CCC1CCCCC1Nc1ccc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline?
The InChIKey is DVDLYUMHAGPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(19(20)21)9-12(14)15(16)17/h7-10,13,15,18H,2-6H2,1H3.
What are the key properties of 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline?
2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline has a molecular weight of 298.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline is sourced from PubChem (CID 63735458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).