1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene

C10H10FNO2 — CID 44549550

IUPAC1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
SMILESCC/C(F)=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10FNO2/c1-2-9(11)7-8-3-5-10(6-4-8)12(13)14/h3-7H,2H2,1H3/b9-7+
InChIKeyWSUXNTSNSUFASU-VQHVLOKHSA-N
MW195.19 g/mol
LogP3.32
Rot. Bonds3

About 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene

1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene (PubChem CID 44549550) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
PubChem CID44549550
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
SMILESCC/C(F)=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10FNO2/c1-2-9(11)7-8-3-5-10(6-4-8)12(13)14/h3-7H,2H2,1H3/b9-7+
InChIKeyWSUXNTSNSUFASU-VQHVLOKHSA-N
XLogP3.32
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 ≤ 53.32
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

(Z)-3-fluoro-4-(4-nitrophenyl)but-3-en-2-one
CID 11586518
1-[(E)-2-(methoxymethyl)but-1-enyl]-4-nitrobenzene
CID 59310601
ethyl (2E)-2-[(4-nitrophenyl)methylidene]butanoate
CID 134855129
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-4-nitrobenzene
CID 11299727
ethyl 2-hydroxy-3-(4-nitrophenyl)prop-2-enoate
CID 71421178
ethanol;1-methyl-4-nitrobenzene
CID 91088173
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
(2E)-2-[(4-nitrophenyl)methylidene]decanal
CID 15437773
[2-(4-nitrophenyl)-1-phosphonoethenyl]phosphonic acid
CID 23271390
1-[(Z)-2-bromo-2-methylsulfonylethenyl]-4-nitrobenzene
CID 162400501
(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1292563
(2E)-2-[(4-nitrophenyl)methylidene]-3-oxooctanoic acid
CID 23004142

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene?
The IUPAC name of 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene (CID 44549550) is 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene?
The canonical SMILES for 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene is CC/C(F)=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene?
The InChIKey is WSUXNTSNSUFASU-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-9(11)7-8-3-5-10(6-4-8)12(13)14/h3-7H,2H2,1H3/b9-7+.
What are the key properties of 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene?
1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene has a molecular weight of 195.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene is sourced from PubChem (CID 44549550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).