2-(difluoromethyl)-4-ethyl-1-nitrobenzene

C9H9F2NO2 — CID 156647991

IUPAC2-(difluoromethyl)-4-ethyl-1-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])c(C(F)F)c1
InChIInChI=1S/C9H9F2NO2/c1-2-6-3-4-8(12(13)14)7(5-6)9(10)11/h3-5,9H,2H2,1H3
InChIKeyBHYXXNIKWKPIIV-UHFFFAOYSA-N
MW201.17 g/mol
LogP3.09
Rot. Bonds3

About 2-(difluoromethyl)-4-ethyl-1-nitrobenzene

2-(difluoromethyl)-4-ethyl-1-nitrobenzene (PubChem CID 156647991) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-ethyl-1-nitrobenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-4-ethyl-1-nitrobenzene
PubChem CID156647991
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-(difluoromethyl)-4-ethyl-1-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])c(C(F)F)c1
InChIInChI=1S/C9H9F2NO2/c1-2-6-3-4-8(12(13)14)7(5-6)9(10)11/h3-5,9H,2H2,1H3
InChIKeyBHYXXNIKWKPIIV-UHFFFAOYSA-N
XLogP3.09
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-2-methylsulfanyl-1-nitrobenzene
CID 91881019
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
1-[2-(difluoromethyl)-4-ethyl-6-nitrophenyl]ethanone
CID 171032523
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
4-ethyl-2-nitro-1-(trifluoromethyl)benzene
CID 70585415
2-(difluoromethyl)-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 129283983
CID 89194362
CID 89194362
3-[(1S)-1-amino-2-methylbutyl]-4-nitrophenol
CID 171226044
2-bromo-1-(4-ethyl-2-nitrophenyl)propan-1-one
CID 134618990
(1S)-1-(5-fluoro-2-nitrophenyl)-2-methylbutan-1-amine;hydrochloride
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1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
ethyl 2-(4-ethyl-2-nitrophenoxy)-2-fluoroacetate
CID 79356770

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-ethyl-1-nitrobenzene?
The IUPAC name of 2-(difluoromethyl)-4-ethyl-1-nitrobenzene (CID 156647991) is 2-(difluoromethyl)-4-ethyl-1-nitrobenzene.
What is the SMILES notation for 2-(difluoromethyl)-4-ethyl-1-nitrobenzene?
The canonical SMILES for 2-(difluoromethyl)-4-ethyl-1-nitrobenzene is CCc1ccc([N+](=O)[O-])c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-ethyl-1-nitrobenzene?
The InChIKey is BHYXXNIKWKPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-2-6-3-4-8(12(13)14)7(5-6)9(10)11/h3-5,9H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-ethyl-1-nitrobenzene?
2-(difluoromethyl)-4-ethyl-1-nitrobenzene has a molecular weight of 201.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-ethyl-1-nitrobenzene is sourced from PubChem (CID 156647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).