1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene

C10H10FNO2 — CID 76936147

IUPAC1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
SMILESCC(=Cc1ccc(F)c(C)c1)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO2/c1-7-5-9(3-4-10(7)11)6-8(2)12(13)14/h3-6H,1-2H3
InChIKeyLITCHWDHNNDJLA-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.77
Rot. Bonds2

About 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene

1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene (PubChem CID 76936147) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
PubChem CID76936147
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
SMILESCC(=Cc1ccc(F)c(C)c1)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO2/c1-7-5-9(3-4-10(7)11)6-8(2)12(13)14/h3-6H,1-2H3
InChIKeyLITCHWDHNNDJLA-UHFFFAOYSA-N
XLogP2.77
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.77
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

2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 81165656
1-fluoro-2-methyl-4-[(Z)-3-methyl-2-nitrobut-1-enyl]benzene
CID 115347811
2-fluoro-1-methylsulfonyl-4-[(E)-2-nitroprop-1-enyl]benzene
CID 57466812
1-fluoro-3-(2-nitroprop-1-enyl)benzene
CID 74315808
1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
4-[(Z)-2-nitroprop-1-enyl]phenol
CID 5371883
4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
CID 123795160
1,3-dichloro-5-(2-nitroprop-1-enyl)benzene
CID 76913009
2-nitroprop-1-enylbenzene
CID 12807
4-(2,2-dinitroethenyl)-1,2-dimethylbenzene
CID 21436577
2,2-dimethyl-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole
CID 12556007
(E)-4-(4-fluoro-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093183

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene?
The IUPAC name of 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene (CID 76936147) is 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene?
The canonical SMILES for 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene is CC(=Cc1ccc(F)c(C)c1)[N+](=O)[O-].
What is the InChIKey of 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene?
The InChIKey is LITCHWDHNNDJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7-5-9(3-4-10(7)11)6-8(2)12(13)14/h3-6H,1-2H3.
What are the key properties of 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene?
1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene has a molecular weight of 195.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene is sourced from PubChem (CID 76936147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).