2,2-difluoro-3-methyldeca-3,5-diene

C11H18F2 — CID 123813972

IUPAC2,2-difluoro-3-methyldeca-3,5-diene
SMILESCCCCC=CC=C(C)C(C)(F)F
InChIInChI=1S/C11H18F2/c1-4-5-6-7-8-9-10(2)11(3,12)13/h7-9H,4-6H2,1-3H3
InChIKeyVRCLJQJIURVUOZ-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.33
Rot. Bonds5

About 2,2-difluoro-3-methyldeca-3,5-diene

2,2-difluoro-3-methyldeca-3,5-diene (PubChem CID 123813972) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 2,2-difluoro-3-methyldeca-3,5-diene.

Molecular Properties

Compound Name2,2-difluoro-3-methyldeca-3,5-diene
PubChem CID123813972
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name2,2-difluoro-3-methyldeca-3,5-diene
SMILESCCCCC=CC=C(C)C(C)(F)F
InChIInChI=1S/C11H18F2/c1-4-5-6-7-8-9-10(2)11(3,12)13/h7-9H,4-6H2,1-3H3
InChIKeyVRCLJQJIURVUOZ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.33
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

1,1-difluoroocta-1,3-diene
CID 150749668
1,1,1-trifluorohept-2-ene
CID 2782636
1,1-dichloroocta-1,3-diene;palladium
CID 87090262
(2E,4Z)-N-methyl-N-prop-1-en-2-ylnona-2,4-dien-2-amine
CID 134186425
2,3-dimethyltrideca-2,4,6,8-tetraene
CID 173035438
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212
(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
CID 10888998
(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene
CID 143078029
(2E,4E)-2-prop-2-enoxynona-2,4-diene
CID 87210955
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(1E)-octa-1,3-dien-1-ol
CID 154003406
2,3-dimethyltrideca-3,8-dien-2-ol
CID 173250349

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyldeca-3,5-diene?
The IUPAC name of 2,2-difluoro-3-methyldeca-3,5-diene (CID 123813972) is 2,2-difluoro-3-methyldeca-3,5-diene.
What is the SMILES notation for 2,2-difluoro-3-methyldeca-3,5-diene?
The canonical SMILES for 2,2-difluoro-3-methyldeca-3,5-diene is CCCCC=CC=C(C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3-methyldeca-3,5-diene?
The InChIKey is VRCLJQJIURVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-4-5-6-7-8-9-10(2)11(3,12)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2-difluoro-3-methyldeca-3,5-diene?
2,2-difluoro-3-methyldeca-3,5-diene has a molecular weight of 188.26 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyldeca-3,5-diene is sourced from PubChem (CID 123813972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).