4,4-difluoro-8,8-dimethylundec-1-yne

C13H22F2 — CID 146587040

IUPAC4,4-difluoro-8,8-dimethylundec-1-yne
SMILESC#CCC(F)(F)CCCC(C)(C)CCC
InChIInChI=1S/C13H22F2/c1-5-8-12(3,4)10-7-11-13(14,15)9-6-2/h2H,5,7-11H2,1,3-4H3
InChIKeyVKNWOWKTAQFGTE-UHFFFAOYSA-N
MW216.31 g/mol
LogP4.64
Rot. Bonds7

About 4,4-difluoro-8,8-dimethylundec-1-yne

4,4-difluoro-8,8-dimethylundec-1-yne (PubChem CID 146587040) has the molecular formula C13H22F2 and a molecular weight of 216.31 g/mol. Its IUPAC name is 4,4-difluoro-8,8-dimethylundec-1-yne.

Molecular Properties

Compound Name4,4-difluoro-8,8-dimethylundec-1-yne
PubChem CID146587040
Molecular FormulaC13H22F2
Molecular Weight216.31 g/mol
Exact Mass216.17
IUPAC Name4,4-difluoro-8,8-dimethylundec-1-yne
SMILESC#CCC(F)(F)CCCC(C)(C)CCC
InChIInChI=1S/C13H22F2/c1-5-8-12(3,4)10-7-11-13(14,15)9-6-2/h2H,5,7-11H2,1,3-4H3
InChIKeyVKNWOWKTAQFGTE-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8,8-dimethylundec-1-yne?
The IUPAC name of 4,4-difluoro-8,8-dimethylundec-1-yne (CID 146587040) is 4,4-difluoro-8,8-dimethylundec-1-yne.
What is the SMILES notation for 4,4-difluoro-8,8-dimethylundec-1-yne?
The canonical SMILES for 4,4-difluoro-8,8-dimethylundec-1-yne is C#CCC(F)(F)CCCC(C)(C)CCC.
What is the InChIKey of 4,4-difluoro-8,8-dimethylundec-1-yne?
The InChIKey is VKNWOWKTAQFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2/c1-5-8-12(3,4)10-7-11-13(14,15)9-6-2/h2H,5,7-11H2,1,3-4H3.
What are the key properties of 4,4-difluoro-8,8-dimethylundec-1-yne?
4,4-difluoro-8,8-dimethylundec-1-yne has a molecular weight of 216.31 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8,8-dimethylundec-1-yne is sourced from PubChem (CID 146587040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).