2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline

C11H12F2N2O2 — CID 103828704

IUPAC2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline
SMILESCC1CC(Nc2c(F)cc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C11H12F2N2O2/c1-6-2-7(3-6)14-11-9(12)4-8(15(16)17)5-10(11)13/h4-7,14H,2-3H2,1H3
InChIKeyCZOGJUCCJCOAMC-UHFFFAOYSA-N
MW242.22 g/mol
LogP3.08
Rot. Bonds3

About 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline

2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline (PubChem CID 103828704) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline
PubChem CID103828704
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline
SMILESCC1CC(Nc2c(F)cc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C11H12F2N2O2/c1-6-2-7(3-6)14-11-9(12)4-8(15(16)17)5-10(11)13/h4-7,14H,2-3H2,1H3
InChIKeyCZOGJUCCJCOAMC-UHFFFAOYSA-N
XLogP3.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 53.08
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

N-(3-ethoxycyclobutyl)-2,6-difluoro-4-nitroaniline
CID 102609234
2,6-difluoro-N-(3-methylsulfanylcyclohexyl)-4-nitroaniline
CID 103828636
N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 103873049
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-4-nitroaniline
CID 103828448
2-(difluoromethyl)-N-(3-methylcyclobutyl)-4-nitroaniline
CID 113467291
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643599
(3R,5R)-1-(2,6-difluoro-4-nitrophenyl)-3,5-dimethylpiperidine
CID 124560155
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
N-(2-cyclopropylpropan-2-yl)-2,6-difluoro-4-nitroaniline
CID 103828666
5-(2,6-difluoro-4-nitroanilino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406970

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline?
The IUPAC name of 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline (CID 103828704) is 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline.
What is the SMILES notation for 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline?
The canonical SMILES for 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline is CC1CC(Nc2c(F)cc([N+](=O)[O-])cc2F)C1.
What is the InChIKey of 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline?
The InChIKey is CZOGJUCCJCOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-6-2-7(3-6)14-11-9(12)4-8(15(16)17)5-10(11)13/h4-7,14H,2-3H2,1H3.
What are the key properties of 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline?
2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline has a molecular weight of 242.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methylcyclobutyl)-4-nitroaniline is sourced from PubChem (CID 103828704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).