4,4-difluoro-2,3-dimethylpent-1-ene

C7H12F2 — CID 163657845

IUPAC4,4-difluoro-2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)C(C)(F)F
InChIInChI=1S/C7H12F2/c1-5(2)6(3)7(4,8)9/h6H,1H2,2-4H3
InChIKeyIRULFPJWEVNAAX-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.85
Rot. Bonds2

About 4,4-difluoro-2,3-dimethylpent-1-ene

4,4-difluoro-2,3-dimethylpent-1-ene (PubChem CID 163657845) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 4,4-difluoro-2,3-dimethylpent-1-ene.

Molecular Properties

Compound Name4,4-difluoro-2,3-dimethylpent-1-ene
PubChem CID163657845
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name4,4-difluoro-2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)C(C)(F)F
InChIInChI=1S/C7H12F2/c1-5(2)6(3)7(4,8)9/h6H,1H2,2-4H3
InChIKeyIRULFPJWEVNAAX-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3-dimethylpent-1-ene?
The IUPAC name of 4,4-difluoro-2,3-dimethylpent-1-ene (CID 163657845) is 4,4-difluoro-2,3-dimethylpent-1-ene.
What is the SMILES notation for 4,4-difluoro-2,3-dimethylpent-1-ene?
The canonical SMILES for 4,4-difluoro-2,3-dimethylpent-1-ene is C=C(C)C(C)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-2,3-dimethylpent-1-ene?
The InChIKey is IRULFPJWEVNAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-5(2)6(3)7(4,8)9/h6H,1H2,2-4H3.
What are the key properties of 4,4-difluoro-2,3-dimethylpent-1-ene?
4,4-difluoro-2,3-dimethylpent-1-ene has a molecular weight of 134.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3-dimethylpent-1-ene is sourced from PubChem (CID 163657845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).