ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C10H14F2O2 — CID 12944062

IUPACethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=C(F)F)C1(C)C
InChIInChI=1S/C10H14F2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3
InChIKeyHLSPUPHHWWNKEF-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.60
Rot. Bonds3

About ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 12944062) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID12944062
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=C(F)F)C1(C)C
InChIInChI=1S/C10H14F2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3
InChIKeyHLSPUPHHWWNKEF-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 12944062) is ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(C=C(F)F)C1(C)C.
What is the InChIKey of ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is HLSPUPHHWWNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3.
What are the key properties of ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-difluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 12944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).