carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane

C8H12F2O3 — CID 67910059

IUPACcarbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=C(F)F.O=C(O)O
InChIInChI=1S/C7H10F2.CH2O3/c1-7(2)4-5(7)3-6(8)9;2-1(3)4/h3,5H,4H2,1-2H3;(H2,2,3,4)
InChIKeyGSICXUHLURWYCP-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.04
Rot. Bonds1

About carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane

carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane (PubChem CID 67910059) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane
PubChem CID67910059
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Namecarbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=C(F)F.O=C(O)O
InChIInChI=1S/C7H10F2.CH2O3/c1-7(2)4-5(7)3-6(8)9;2-1(3)4/h3,5H,4H2,1-2H3;(H2,2,3,4)
InChIKeyGSICXUHLURWYCP-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane?
The IUPAC name of carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane (CID 67910059) is carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane?
The canonical SMILES for carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane is CC1(C)CC1C=C(F)F.O=C(O)O.
What is the InChIKey of carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane?
The InChIKey is GSICXUHLURWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2.CH2O3/c1-7(2)4-5(7)3-6(8)9;2-1(3)4/h3,5H,4H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane?
carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane has a molecular weight of 194.18 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(2,2-difluoroethenyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 67910059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).