(3Z)-4-ethenyl-7-fluorohepta-1,3-diene

C9H13F — CID 143712076

IUPAC(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
SMILESC=C/C=C(\C=C)CCCF
InChIInChI=1S/C9H13F/c1-3-6-9(4-2)7-5-8-10/h3-4,6H,1-2,5,7-8H2/b9-6+
InChIKeyMNBQAHMEMKRTAR-RMKNXTFCSA-N
MW140.20 g/mol
LogP3.03
Rot. Bonds5

About (3Z)-4-ethenyl-7-fluorohepta-1,3-diene

(3Z)-4-ethenyl-7-fluorohepta-1,3-diene (PubChem CID 143712076) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (3Z)-4-ethenyl-7-fluorohepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
PubChem CID143712076
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
SMILESC=C/C=C(\C=C)CCCF
InChIInChI=1S/C9H13F/c1-3-6-9(4-2)7-5-8-10/h3-4,6H,1-2,5,7-8H2/b9-6+
InChIKeyMNBQAHMEMKRTAR-RMKNXTFCSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-7-fluorohepta-1,3-diene?
The IUPAC name of (3Z)-4-ethenyl-7-fluorohepta-1,3-diene (CID 143712076) is (3Z)-4-ethenyl-7-fluorohepta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethenyl-7-fluorohepta-1,3-diene?
The canonical SMILES for (3Z)-4-ethenyl-7-fluorohepta-1,3-diene is C=C/C=C(\C=C)CCCF.
What is the InChIKey of (3Z)-4-ethenyl-7-fluorohepta-1,3-diene?
The InChIKey is MNBQAHMEMKRTAR-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H13F/c1-3-6-9(4-2)7-5-8-10/h3-4,6H,1-2,5,7-8H2/b9-6+.
What are the key properties of (3Z)-4-ethenyl-7-fluorohepta-1,3-diene?
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-7-fluorohepta-1,3-diene is sourced from PubChem (CID 143712076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).