ethyl 2,2-difluorocyclopropane-1-carboxylate

C6H8F2O2 — CID 45090075

IUPACethyl 2,2-difluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)F
InChIInChI=1S/C6H8F2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyMTANUEONBSYVOV-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.20
Rot. Bonds2

About ethyl 2,2-difluorocyclopropane-1-carboxylate

ethyl 2,2-difluorocyclopropane-1-carboxylate (PubChem CID 45090075) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is ethyl 2,2-difluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-difluorocyclopropane-1-carboxylate
PubChem CID45090075
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Nameethyl 2,2-difluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)F
InChIInChI=1S/C6H8F2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyMTANUEONBSYVOV-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclopropanecarboxylate
CID 78351
Ethyl 3-methyl-4,4,4-trifluorobutanoate
CID 228896
Ethyl 4,4,4-Trifluorobutyrate
CID 2733273
2,2,2-Trifluoroethyl butanoate
CID 193290
Butyl 2,2-difluorocyclopropanecarboxylate
CID 2761400
Ethyl 3,3-difluorobutyrate
CID 12617117
Ethyl 4,4,4-trifluoro-2-methylbutanoate
CID 2737205
Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
CID 2737240
Ethyl 3,3,4,4-tetrafluorobutanoate
CID 10888695
Propanoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester
CID 10942863
Ethyl 3,3,3-trifluoro-2-methylpropanoate
CID 13183700
Butanoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester
CID 22976397

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluorocyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-difluorocyclopropane-1-carboxylate (CID 45090075) is ethyl 2,2-difluorocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-difluorocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-difluorocyclopropane-1-carboxylate is CCOC(=O)C1CC1(F)F.
What is the InChIKey of ethyl 2,2-difluorocyclopropane-1-carboxylate?
The InChIKey is MTANUEONBSYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3.
What are the key properties of ethyl 2,2-difluorocyclopropane-1-carboxylate?
ethyl 2,2-difluorocyclopropane-1-carboxylate has a molecular weight of 150.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluorocyclopropane-1-carboxylate is sourced from PubChem (CID 45090075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).