1,1-difluoro-2,3,3-trimethylbut-1-ene

C7H12F2 — CID 23168874

IUPAC1,1-difluoro-2,3,3-trimethylbut-1-ene
SMILESCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C7H12F2/c1-5(6(8)9)7(2,3)4/h1-4H3
InChIKeyFMUABVHGCZBFHF-UHFFFAOYSA-N
MW134.17 g/mol
LogP3.20
Rot. Bonds

About 1,1-difluoro-2,3,3-trimethylbut-1-ene

1,1-difluoro-2,3,3-trimethylbut-1-ene (PubChem CID 23168874) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 1,1-difluoro-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2,3,3-trimethylbut-1-ene
PubChem CID23168874
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name1,1-difluoro-2,3,3-trimethylbut-1-ene
SMILESCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C7H12F2/c1-5(6(8)9)7(2,3)4/h1-4H3
InChIKeyFMUABVHGCZBFHF-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-2,3,3-trimethylbut-1-ene?
The IUPAC name of 1,1-difluoro-2,3,3-trimethylbut-1-ene (CID 23168874) is 1,1-difluoro-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-2,3,3-trimethylbut-1-ene?
The canonical SMILES for 1,1-difluoro-2,3,3-trimethylbut-1-ene is CC(=C(F)F)C(C)(C)C.
What is the InChIKey of 1,1-difluoro-2,3,3-trimethylbut-1-ene?
The InChIKey is FMUABVHGCZBFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-5(6(8)9)7(2,3)4/h1-4H3.
What are the key properties of 1,1-difluoro-2,3,3-trimethylbut-1-ene?
1,1-difluoro-2,3,3-trimethylbut-1-ene has a molecular weight of 134.17 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 23168874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).