(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene

C7H8FNO2 — CID 143715947

IUPAC(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene
SMILESC=C(F)/C(C)=C\C(=C)[N+](=O)[O-]
InChIInChI=1S/C7H8FNO2/c1-5(7(3)8)4-6(2)9(10)11/h4H,2-3H2,1H3/b5-4-
InChIKeyPSJBMJILTNADPF-PLNGDYQASA-N
MW157.14 g/mol
LogP2.21
Rot. Bonds3

About (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene

(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene (PubChem CID 143715947) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene
PubChem CID143715947
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene
SMILESC=C(F)/C(C)=C\C(=C)[N+](=O)[O-]
InChIInChI=1S/C7H8FNO2/c1-5(7(3)8)4-6(2)9(10)11/h4H,2-3H2,1H3/b5-4-
InChIKeyPSJBMJILTNADPF-PLNGDYQASA-N
XLogP2.21
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 52.21
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

4-methyl-2-nitropenta-1,3-diene
CID 143291767
(NE)-N-[(4E)-4-methyl-6-nitrohepta-4,6-dien-3-ylidene]hydroxylamine
CID 121388661
2-nitrobuta-1,3-diene
CID 12591973
(3Z)-4-ethyl-2-nitrohexa-1,3,5-triene
CID 163953046
4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
CID 126583837
(3Z)-4-fluoro-3-methyl-5-nitrohexa-3,5-dien-2-one
CID 138485994
ethane;(3E)-3-methoxy-2-methylidene-5-nitrohexa-3,5-dienal
CID 142968161
(1E,3E)-1,5-dinitrohexa-1,3,5-trien-3-amine
CID 146204806
(2E)-2-(1-aminoethenyl)-4-nitropenta-2,4-dienoic acid
CID 156802386
(3Z)-2-chloro-5-nitrohexa-1,3,5-triene
CID 143594332
(3E,5E)-5-methoxy-2-nitro-4-prop-2-enoxyhepta-1,3,5-triene
CID 142873903
ethane;(3E,5E)-5-methoxy-2-nitro-4-prop-2-enoxyhepta-1,3,5-triene
CID 142873902

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene?
The IUPAC name of (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene (CID 143715947) is (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene is C=C(F)/C(C)=C\C(=C)[N+](=O)[O-].
What is the InChIKey of (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene?
The InChIKey is PSJBMJILTNADPF-PLNGDYQASA-N. The full InChI is InChI=1S/C7H8FNO2/c1-5(7(3)8)4-6(2)9(10)11/h4H,2-3H2,1H3/b5-4-.
What are the key properties of (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene?
(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene has a molecular weight of 157.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene is sourced from PubChem (CID 143715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).