(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne

C16H17F — CID 145154509

IUPAC(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
SMILESC=C(C)/C=C\C(=C)C#CC(=C)/C=C(/C)C(=C)F
InChIInChI=1S/C16H17F/c1-12(2)7-8-13(3)9-10-14(4)11-15(5)16(6)17/h7-8,11H,1,3-4,6H2,2,5H3/b8-7-,15-11-
InChIKeyRSJJUDNKMRWSKI-FGTQOCLDSA-N
MW228.31 g/mol
LogP4.66
Rot. Bonds4

About (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne

(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne (PubChem CID 145154509) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne.

Molecular Properties

Compound Name(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
PubChem CID145154509
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne
SMILESC=C(C)/C=C\C(=C)C#CC(=C)/C=C(/C)C(=C)F
InChIInChI=1S/C16H17F/c1-12(2)7-8-13(3)9-10-14(4)11-15(5)16(6)17/h7-8,11H,1,3-4,6H2,2,5H3/b8-7-,15-11-
InChIKeyRSJJUDNKMRWSKI-FGTQOCLDSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne with MolForge

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Related Compounds

6-t-Butyl-2,2,9,9-tetramethyl-3,5-decadien-7-yne
CID 545422
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
(3Z,5Z)-7-fluoro-4-methylhepta-3,5-dien-1-yne
CID 88254572
(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene
CID 88958496
5-Fluoro-2-prop-1-ynylcyclohexa-1,3-diene
CID 89176308
(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne
CID 89246542
(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene
CID 89419046
2-Fluoro-5-methylocta-1,3,5-trien-7-yne
CID 91507482
3-Ethynyl-2-fluorohexa-2,4-diene
CID 123649970
11-Fluoro-3,6-dimethyl-7-methylidenetetradeca-3,5,9-triene
CID 123748122
(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene
CID 126586971
(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
CID 126710295

Frequently Asked Questions

What is the IUPAC name of (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The IUPAC name of (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne (CID 145154509) is (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne.
What is the SMILES notation for (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The canonical SMILES for (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne is C=C(C)/C=C\C(=C)C#CC(=C)/C=C(/C)C(=C)F.
What is the InChIKey of (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
The InChIKey is RSJJUDNKMRWSKI-FGTQOCLDSA-N. The full InChI is InChI=1S/C16H17F/c1-12(2)7-8-13(3)9-10-14(4)11-15(5)16(6)17/h7-8,11H,1,3-4,6H2,2,5H3/b8-7-,15-11-.
What are the key properties of (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne?
(3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne has a molecular weight of 228.31 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-2-fluoro-3,11-dimethyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yne is sourced from PubChem (CID 145154509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).