1,1-difluoro-4,4-dimethylpent-1-ene

C7H12F2 — CID 89198692

IUPAC1,1-difluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=C(F)F
InChIInChI=1S/C7H12F2/c1-7(2,3)5-4-6(8)9/h4H,5H2,1-3H3
InChIKeyPTINZJPPBAZIET-UHFFFAOYSA-N
MW134.17 g/mol
LogP3.20
Rot. Bonds1

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

1,1-difluoro-4,4-dimethylpent-1-ene (PubChem CID 89198692) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 1,1-difluoro-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1,1-difluoro-4,4-dimethylpent-1-ene
PubChem CID89198692
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name1,1-difluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC=C(F)F
InChIInChI=1S/C7H12F2/c1-7(2,3)5-4-6(8)9/h4H,5H2,1-3H3
InChIKeyPTINZJPPBAZIET-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,4-dimethylpent-1-ene?
The IUPAC name of 1,1-difluoro-4,4-dimethylpent-1-ene (CID 89198692) is 1,1-difluoro-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1,1-difluoro-4,4-dimethylpent-1-ene?
The canonical SMILES for 1,1-difluoro-4,4-dimethylpent-1-ene is CC(C)(C)CC=C(F)F.
What is the InChIKey of 1,1-difluoro-4,4-dimethylpent-1-ene?
The InChIKey is PTINZJPPBAZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-7(2,3)5-4-6(8)9/h4H,5H2,1-3H3.
What are the key properties of 1,1-difluoro-4,4-dimethylpent-1-ene?
1,1-difluoro-4,4-dimethylpent-1-ene has a molecular weight of 134.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,4-dimethylpent-1-ene is sourced from PubChem (CID 89198692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).