2-fluoro-5-nitrosohepta-1,3,5-triene

C7H8FNO — CID 123549824

IUPAC2-fluoro-5-nitrosohepta-1,3,5-triene
SMILESC=C(F)C=CC(=CC)N=O
InChIInChI=1S/C7H8FNO/c1-3-7(9-10)5-4-6(2)8/h3-5H,2H2,1H3
InChIKeyVAYDWECWIVIZRT-UHFFFAOYSA-N
MW141.14 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-5-nitrosohepta-1,3,5-triene

2-fluoro-5-nitrosohepta-1,3,5-triene (PubChem CID 123549824) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-fluoro-5-nitrosohepta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-5-nitrosohepta-1,3,5-triene
PubChem CID123549824
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name2-fluoro-5-nitrosohepta-1,3,5-triene
SMILESC=C(F)C=CC(=CC)N=O
InChIInChI=1S/C7H8FNO/c1-3-7(9-10)5-4-6(2)8/h3-5H,2H2,1H3
InChIKeyVAYDWECWIVIZRT-UHFFFAOYSA-N
XLogP2.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane
CID 142842980
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(4E,7Z)-9-fluoro-5-methyl-6-methylidenedeca-4,7,9-trien-2-one
CID 142308296
ethane;(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685433
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitrosohepta-1,3,5-triene?
The IUPAC name of 2-fluoro-5-nitrosohepta-1,3,5-triene (CID 123549824) is 2-fluoro-5-nitrosohepta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-5-nitrosohepta-1,3,5-triene?
The canonical SMILES for 2-fluoro-5-nitrosohepta-1,3,5-triene is C=C(F)C=CC(=CC)N=O.
What is the InChIKey of 2-fluoro-5-nitrosohepta-1,3,5-triene?
The InChIKey is VAYDWECWIVIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-3-7(9-10)5-4-6(2)8/h3-5H,2H2,1H3.
What are the key properties of 2-fluoro-5-nitrosohepta-1,3,5-triene?
2-fluoro-5-nitrosohepta-1,3,5-triene has a molecular weight of 141.14 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitrosohepta-1,3,5-triene is sourced from PubChem (CID 123549824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).