4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne

C9H10F2 — CID 90735152

IUPAC4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne
SMILESC#CC=C(F)C=C(CC)CF
InChIInChI=1S/C9H10F2/c1-3-5-9(11)6-8(4-2)7-10/h1,5-6H,4,7H2,2H3
InChIKeyGPWQHKLQGCSSIA-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne

4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne (PubChem CID 90735152) has the molecular formula C9H10F2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne.

Molecular Properties

Compound Name4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne
PubChem CID90735152
Molecular FormulaC9H10F2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne
SMILESC#CC=C(F)C=C(CC)CF
InChIInChI=1S/C9H10F2/c1-3-5-9(11)6-8(4-2)7-10/h1,5-6H,4,7H2,2H3
InChIKeyGPWQHKLQGCSSIA-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.78
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'}

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Related Compounds

(2E,4E)-1,1,1-trifluoro-2,3,4-trimethylhexa-2,4-diene
CID 20607797
7,7-Difluoro-4-methylhepta-1,2,4-triene
CID 57033913
7-Fluoro-4-methylhepta-1,2,4-triene
CID 57085200
7,7,7-Trifluoro-4-methylhepta-1,2,4-triene
CID 57250833
(4E)-2,4-dimethyl-3-(trifluoromethyl)hexa-2,4-diene
CID 59092808
(2E,4Z)-1,1,1-trifluoro-2,4-dimethylhexa-2,4-diene
CID 87412099
(3Z,5Z)-7-fluoro-4-methylhepta-3,5-dien-1-yne
CID 88254572
(2E,4E,6Z)-2,4-difluoro-6-methylocta-2,4,6-triene
CID 88279821
(3E)-4-(difluoromethyl)-2,6-dimethylhepta-1,3,5-triene
CID 88886456
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266
(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne
CID 88892954
(2E,4E)-2,4,6-trifluoro-3,6-dimethylhepta-2,4-diene
CID 88915971

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne?
The IUPAC name of 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne (CID 90735152) is 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne.
What is the SMILES notation for 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne?
The canonical SMILES for 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne is C#CC=C(F)C=C(CC)CF.
What is the InChIKey of 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne?
The InChIKey is GPWQHKLQGCSSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c1-3-5-9(11)6-8(4-2)7-10/h1,5-6H,4,7H2,2H3.
What are the key properties of 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne?
4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne has a molecular weight of 156.18 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(fluoromethyl)octa-3,5-dien-1-yne is sourced from PubChem (CID 90735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).