(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne

C14H18F2 — CID 121461068

IUPAC(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne
SMILESC#CC(=C)/C=C(\C=C/CCCC)C(C)(F)F
InChIInChI=1S/C14H18F2/c1-5-7-8-9-10-13(14(4,15)16)11-12(3)6-2/h2,9-11H,3,5,7-8H2,1,4H3/b10-9-,13-11+
InChIKeyWKEVIVGZMFFWBY-AZQRDTPRSA-N
MW224.29 g/mol
LogP4.50
Rot. Bonds6

About (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne

(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne (PubChem CID 121461068) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne.

Molecular Properties

Compound Name(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne
PubChem CID121461068
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne
SMILESC#CC(=C)/C=C(\C=C/CCCC)C(C)(F)F
InChIInChI=1S/C14H18F2/c1-5-7-8-9-10-13(14(4,15)16)11-12(3)6-2/h2,9-11H,3,5,7-8H2,1,4H3/b10-9-,13-11+
InChIKeyWKEVIVGZMFFWBY-AZQRDTPRSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 24977733
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CID 89009580
(3E,5E)-5-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 89130415
(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne
CID 89246542
5-(1,1-Difluoroethyl)-2-prop-1-ynylcyclohexa-1,3-diene
CID 89259519
(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene
CID 89419046
2,4-Dimethyl-3-(3,3,3-trifluoroprop-1-en-2-yl)octa-1,3,5-triene
CID 90695962
6-Methyl-3-(trifluoromethyl)nona-1,3,5-triene
CID 90765222
6-Methyl-3-(trifluoromethyl)deca-2,4,6-triene
CID 91064604
9-Methylidene-5-(trifluoromethyl)trideca-3,5,7-triene
CID 91173637
(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene
CID 118153241

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne?
The IUPAC name of (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne (CID 121461068) is (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne.
What is the SMILES notation for (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne?
The canonical SMILES for (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne is C#CC(=C)/C=C(\C=C/CCCC)C(C)(F)F.
What is the InChIKey of (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne?
The InChIKey is WKEVIVGZMFFWBY-AZQRDTPRSA-N. The full InChI is InChI=1S/C14H18F2/c1-5-7-8-9-10-13(14(4,15)16)11-12(3)6-2/h2,9-11H,3,5,7-8H2,1,4H3/b10-9-,13-11+.
What are the key properties of (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne?
(4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne has a molecular weight of 224.29 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-5-(1,1-difluoroethyl)-3-methylideneundeca-4,6-dien-1-yne is sourced from PubChem (CID 121461068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).