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

C8H13FO3 — CID 70131151

IUPACcarbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=CF.O=C(O)O
InChIInChI=1S/C7H11F.CH2O3/c1-7(2)5-6(7)3-4-8;2-1(3)4/h3-4,6H,5H2,1-2H3;(H2,2,3,4)
InChIKeySJIUMTKPWCAVQO-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.74
Rot. Bonds1

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

carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane (PubChem CID 70131151) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane
PubChem CID70131151
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Namecarbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=CF.O=C(O)O
InChIInChI=1S/C7H11F.CH2O3/c1-7(2)5-6(7)3-4-8;2-1(3)4/h3-4,6H,5H2,1-2H3;(H2,2,3,4)
InChIKeySJIUMTKPWCAVQO-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.74
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-fluoroethenyl)-1,1-dimethylcyclopropane?
The IUPAC name of carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane (CID 70131151) is carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane?
The canonical SMILES for carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane is CC1(C)CC1C=CF.O=C(O)O.
What is the InChIKey of carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane?
The InChIKey is SJIUMTKPWCAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F.CH2O3/c1-7(2)5-6(7)3-4-8;2-1(3)4/h3-4,6H,5H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane?
carbonic acid;2-(2-fluoroethenyl)-1,1-dimethylcyclopropane has a molecular weight of 176.19 g/mol, XLogP of 2.74, 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-fluoroethenyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 70131151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).