(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene

C8H12FNO — CID 88587086

IUPAC(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene
SMILESCC/C=C(C)\C(F)=C(/C)N=O
InChIInChI=1S/C8H12FNO/c1-4-5-6(2)8(9)7(3)10-11/h5H,4H2,1-3H3/b6-5-,8-7-
InChIKeyHZKMFZBSWJJLJT-ISTTXYCBSA-N
MW157.19 g/mol
LogP3.31
Rot. Bonds3

About (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene

(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene (PubChem CID 88587086) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene
PubChem CID88587086
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene
SMILESCC/C=C(C)\C(F)=C(/C)N=O
InChIInChI=1S/C8H12FNO/c1-4-5-6(2)8(9)7(3)10-11/h5H,4H2,1-3H3/b6-5-,8-7-
InChIKeyHZKMFZBSWJJLJT-ISTTXYCBSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 53.31
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

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(E)-2-methylpent-2-enoate
CID 7006461
N'-[(1Z,3E)-1-ethoxy-2-fluoro-3-methylhexa-1,3-dienyl]-N,N-dimethylethanimidamide
CID 143883697
CID 158703292
CID 158703292
(E)-2-methylpent-2-enethioate
CID 6365955
2-methylpent-2-enamide
CID 66895957
(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
CID 90783206
(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
(Z)-N,N,2-trimethylpent-2-enamide
CID 23256688
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
CID 143818434

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene?
The IUPAC name of (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene (CID 88587086) is (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene is CC/C=C(C)\C(F)=C(/C)N=O.
What is the InChIKey of (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene?
The InChIKey is HZKMFZBSWJJLJT-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H12FNO/c1-4-5-6(2)8(9)7(3)10-11/h5H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene?
(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene has a molecular weight of 157.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene is sourced from PubChem (CID 88587086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).