[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene

C10H10FNO2 — CID 134863119

IUPAC[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene
SMILESC/C(F)=C(/C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C10H10FNO2/c1-8(11)10(7-12(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+
InChIKeyMMECXQRVECMQFS-CSKARUKUSA-N
MW195.19 g/mol
LogP2.66
Rot. Bonds3

About [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene

[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene (PubChem CID 134863119) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene
PubChem CID134863119
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene
SMILESC/C(F)=C(/C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C10H10FNO2/c1-8(11)10(7-12(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+
InChIKeyMMECXQRVECMQFS-CSKARUKUSA-N
XLogP2.66
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene?
The IUPAC name of [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene (CID 134863119) is [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene.
What is the SMILES notation for [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene?
The canonical SMILES for [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene is C/C(F)=C(/C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene?
The InChIKey is MMECXQRVECMQFS-CSKARUKUSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-8(11)10(7-12(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+.
What are the key properties of [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene?
[(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene has a molecular weight of 195.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-1-nitrobut-2-en-2-yl]benzene is sourced from PubChem (CID 134863119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).