(5Z)-3-fluoro-4-methylhepta-1,5-diene

C8H13F — CID 143849032

IUPAC(5Z)-3-fluoro-4-methylhepta-1,5-diene
SMILESC=CC(F)C(C)/C=C\C
InChIInChI=1S/C8H13F/c1-4-6-7(3)8(9)5-2/h4-8H,2H2,1,3H3/b6-4-
InChIKeyMMHLWKBCZYUCMV-XQRVVYSFSA-N
MW128.19 g/mol
LogP2.72
Rot. Bonds3

About (5Z)-3-fluoro-4-methylhepta-1,5-diene

(5Z)-3-fluoro-4-methylhepta-1,5-diene (PubChem CID 143849032) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (5Z)-3-fluoro-4-methylhepta-1,5-diene.

Molecular Properties

Compound Name(5Z)-3-fluoro-4-methylhepta-1,5-diene
PubChem CID143849032
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(5Z)-3-fluoro-4-methylhepta-1,5-diene
SMILESC=CC(F)C(C)/C=C\C
InChIInChI=1S/C8H13F/c1-4-6-7(3)8(9)5-2/h4-8H,2H2,1,3H3/b6-4-
InChIKeyMMHLWKBCZYUCMV-XQRVVYSFSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methylpent-1-ene
CID 154549963
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
4-fluoro-3-methylpent-1-ene
CID 123956032
trifluoro(3-methylhex-4-en-2-yl)-λ4-sulfane
CID 146646129
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
3,4-dimethylhexa-1,5-diene
CID 521244
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
4-methylpent-2-ene
CID 12659
(3S,4E)-3-ethylhexa-1,4-diene
CID 163087431
(Z,4S)-4-ethenoxypent-2-ene
CID 134859138
(4E,8E)-3,7-dimethyldeca-1,4,8-triene
CID 22679021

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-fluoro-4-methylhepta-1,5-diene?
The IUPAC name of (5Z)-3-fluoro-4-methylhepta-1,5-diene (CID 143849032) is (5Z)-3-fluoro-4-methylhepta-1,5-diene.
What is the SMILES notation for (5Z)-3-fluoro-4-methylhepta-1,5-diene?
The canonical SMILES for (5Z)-3-fluoro-4-methylhepta-1,5-diene is C=CC(F)C(C)/C=C\C.
What is the InChIKey of (5Z)-3-fluoro-4-methylhepta-1,5-diene?
The InChIKey is MMHLWKBCZYUCMV-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13F/c1-4-6-7(3)8(9)5-2/h4-8H,2H2,1,3H3/b6-4-.
What are the key properties of (5Z)-3-fluoro-4-methylhepta-1,5-diene?
(5Z)-3-fluoro-4-methylhepta-1,5-diene has a molecular weight of 128.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-fluoro-4-methylhepta-1,5-diene is sourced from PubChem (CID 143849032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).