1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene

C9H10FNO2 — CID 118819005

IUPAC1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene
SMILESCc1c(CF)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C9H10FNO2/c1-6-7(2)9(11(12)13)4-3-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyBRZQLJWBMQPCAR-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.68
Rot. Bonds2

About 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene

1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene (PubChem CID 118819005) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene
PubChem CID118819005
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene
SMILESCc1c(CF)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C9H10FNO2/c1-6-7(2)9(11(12)13)4-3-8(6)5-10/h3-4H,5H2,1-2H3
InChIKeyBRZQLJWBMQPCAR-UHFFFAOYSA-N
XLogP2.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.68
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

1-(fluoromethyl)-4-nitronaphthalene
CID 12749164
[3-methyl-4-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328456
2,3-dimethyl-1-nitro-4-(trifluoromethyl)benzene
CID 119006674
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
(3-chloro-2-methyl-4-nitrophenyl)methanamine
CID 130938681
6-fluoro-2-methyl-3-nitrobenzenethiol
CID 130849844
ethyl 2-(3-fluoro-2-methyl-4-nitrophenyl)acetate
CID 134633097
1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
CID 15058786
methyl 2-(2-amino-3-methyl-4-nitrophenyl)acetate
CID 171030711
2-(2,3-dimethyl-4-nitrophenoxy)ethanamine
CID 82673085
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
2-(bromomethyl)-3-methyl-1-nitro-4-(trifluoromethyl)benzene
CID 131325582

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene?
The IUPAC name of 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene (CID 118819005) is 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene.
What is the SMILES notation for 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene?
The canonical SMILES for 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene is Cc1c(CF)ccc([N+](=O)[O-])c1C.
What is the InChIKey of 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene?
The InChIKey is BRZQLJWBMQPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6-7(2)9(11(12)13)4-3-8(6)5-10/h3-4H,5H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene?
1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene has a molecular weight of 183.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene is sourced from PubChem (CID 118819005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).