(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene

C11H17F — CID 158832591

IUPAC(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
SMILESC=C/C(=C\C=C\F)CCCCC
InChIInChI=1S/C11H17F/c1-3-5-6-8-11(4-2)9-7-10-12/h4,7,9-10H,2-3,5-6,8H2,1H3/b10-7+,11-9+
InChIKeyXAHIOEIFEWCPBQ-PPZOTWNKSA-N
MW168.25 g/mol
LogP4.16
Rot. Bonds6

About (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene

(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene (PubChem CID 158832591) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
PubChem CID158832591
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
SMILESC=C/C(=C\C=C\F)CCCCC
InChIInChI=1S/C11H17F/c1-3-5-6-8-11(4-2)9-7-10-12/h4,7,9-10H,2-3,5-6,8H2,1H3/b10-7+,11-9+
InChIKeyXAHIOEIFEWCPBQ-PPZOTWNKSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 91511297
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
N-(2-ethenyloct-1-enyl)acetamide
CID 71377368
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
non-1-ene-3,4-dione
CID 57016936
prop-2-enoic acid;undecan-6-one
CID 122573755
3-methylidenetridec-1-ene
CID 3776253
(6Z,8E)-6-ethenyl-2-methyldodeca-6,8-diene-1,1-diol
CID 143996878
dodeca-1,3-dien-6-one
CID 154455058

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene?
The IUPAC name of (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene (CID 158832591) is (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene.
What is the SMILES notation for (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene?
The canonical SMILES for (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene is C=C/C(=C\C=C\F)CCCCC.
What is the InChIKey of (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene?
The InChIKey is XAHIOEIFEWCPBQ-PPZOTWNKSA-N. The full InChI is InChI=1S/C11H17F/c1-3-5-6-8-11(4-2)9-7-10-12/h4,7,9-10H,2-3,5-6,8H2,1H3/b10-7+,11-9+.
What are the key properties of (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene?
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene has a molecular weight of 168.25 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene is sourced from PubChem (CID 158832591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).