(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene

C8H8FNO2 — CID 134446336

IUPAC(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene
SMILESC=CC(=C)/C=C\C(=C\F)[N+](=O)[O-]
InChIInChI=1S/C8H8FNO2/c1-3-7(2)4-5-8(6-9)10(11)12/h3-6H,1-2H2/b5-4-,8-6-
InChIKeyOSWYPWYEEHIBHO-NADLECRISA-N
MW169.15 g/mol
LogP2.37
Rot. Bonds4

About (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene

(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene (PubChem CID 134446336) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene.

Molecular Properties

Compound Name(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene
PubChem CID134446336
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene
SMILESC=CC(=C)/C=C\C(=C\F)[N+](=O)[O-]
InChIInChI=1S/C8H8FNO2/c1-3-7(2)4-5-8(6-9)10(11)12/h3-6H,1-2H2/b5-4-,8-6-
InChIKeyOSWYPWYEEHIBHO-NADLECRISA-N
XLogP2.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 52.37
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-nitrobuta-1,3-diene
CID 12591973
(3E)-4-nitrohexa-1,3,5-trien-2-amine
CID 142104623
(3E,7Z)-5,6-dimethylidene-3-nitrodeca-1,3,7,9-tetraene
CID 143833775
(3E,5E)-5-nitrohepta-1,3,5-trien-3-amine
CID 142131622
(3E,5E)-5-nitroocta-1,3,5,7-tetraen-3-amine
CID 145241046
ethane;(3Z,5E)-2-methylidene-5-nitrohepta-3,5-dienoic acid
CID 142813071
(3Z,5E)-7-fluoro-2-methylidene-5-nitrohepta-3,5-dienenitrile
CID 118130146
ethane;(3E,5Z)-4-nitrohepta-1,3,5-triene
CID 142929729
(2Z,4E)-3-nitrohexa-2,4-diene
CID 171376745
(1E)-1-iodo-3-methylidenepenta-1,4-diene
CID 88942119
N-[(1Z)-2-ethenyl-3-methyl-1-nitrobuta-1,3-dienyl]methanimine
CID 164858355
potassium;strontium;bis(nitric acid)
CID 173432991

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene?
The IUPAC name of (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene (CID 134446336) is (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene.
What is the SMILES notation for (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene?
The canonical SMILES for (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene is C=CC(=C)/C=C\C(=C\F)[N+](=O)[O-].
What is the InChIKey of (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene?
The InChIKey is OSWYPWYEEHIBHO-NADLECRISA-N. The full InChI is InChI=1S/C8H8FNO2/c1-3-7(2)4-5-8(6-9)10(11)12/h3-6H,1-2H2/b5-4-,8-6-.
What are the key properties of (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene?
(1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene has a molecular weight of 169.15 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-fluoro-5-methylidene-2-nitrohepta-1,3,6-triene is sourced from PubChem (CID 134446336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).