(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene

C7H10FNO2 — CID 142163381

IUPAC(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene
SMILESCC/C(=C\C=C(/C)F)[N+](=O)[O-]
InChIInChI=1S/C7H10FNO2/c1-3-7(9(10)11)5-4-6(2)8/h4-5H,3H2,1-2H3/b6-4+,7-5+
InChIKeyKTHRXCIWQGWYTG-YDFGWWAZSA-N
MW159.16 g/mol
LogP2.43
Rot. Bonds3

About (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene

(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene (PubChem CID 142163381) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene
PubChem CID142163381
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene
SMILESCC/C(=C\C=C(/C)F)[N+](=O)[O-]
InChIInChI=1S/C7H10FNO2/c1-3-7(9(10)11)5-4-6(2)8/h4-5H,3H2,1-2H3/b6-4+,7-5+
InChIKeyKTHRXCIWQGWYTG-YDFGWWAZSA-N
XLogP2.43
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene?
The IUPAC name of (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene (CID 142163381) is (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene.
What is the SMILES notation for (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene?
The canonical SMILES for (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene is CC/C(=C\C=C(/C)F)[N+](=O)[O-].
What is the InChIKey of (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene?
The InChIKey is KTHRXCIWQGWYTG-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-3-7(9(10)11)5-4-6(2)8/h4-5H,3H2,1-2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene?
(2E,4E)-2-fluoro-5-nitrohepta-2,4-diene has a molecular weight of 159.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-fluoro-5-nitrohepta-2,4-diene is sourced from PubChem (CID 142163381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).