ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate

C7H10F2O2 — CID 92980111

IUPACethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-3-11-5(10)6(2)4-7(6,8)9/h3-4H2,1-2H3/t6-/m0/s1
InChIKeyXPCGYXQFSFMEDT-LURJTMIESA-N
MW164.15 g/mol
LogP1.59
Rot. Bonds2

About ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate

ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate (PubChem CID 92980111) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
PubChem CID92980111
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Nameethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CC1(F)F
InChIInChI=1S/C7H10F2O2/c1-3-11-5(10)6(2)4-7(6,8)9/h3-4H2,1-2H3/t6-/m0/s1
InChIKeyXPCGYXQFSFMEDT-LURJTMIESA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-ethyl (1R,2S)-2-bromo-2-iodo-1-methylcyclopropane-1-carboxylate
CID 11325057
ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
CID 146444920
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
ethyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 162420364
cis-(1S,2R)-2-ethoxycarbonyl-1,2-dimethylcyclohexane-1-carboxylic acid
CID 175835686
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846
ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
CID 162586046
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 1-fluorocyclopent-3-ene-1-carboxylate
CID 45090301
1-O-ethyl 2-O-propyl 1,2,4,4-tetramethylcyclohexane-1,2-dicarboxylate
CID 146562618
ethyl 2,2-dichloro-1,3-dimethylcyclobutane-1-carboxylate
CID 143820686

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate (CID 92980111) is ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(C)CC1(F)F.
What is the InChIKey of ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate?
The InChIKey is XPCGYXQFSFMEDT-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F2O2/c1-3-11-5(10)6(2)4-7(6,8)9/h3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate?
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate has a molecular weight of 164.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 92980111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).