ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate

C12H21F2NO2 — CID 123277160

IUPACethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate
SMILESCCCC(F)(F)CC1CC1(NC)C(=O)OCC
InChIInChI=1S/C12H21F2NO2/c1-4-6-11(13,14)7-9-8-12(9,15-3)10(16)17-5-2/h9,15H,4-8H2,1-3H3
InChIKeyFKALZBWABFMLPB-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate

ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate (PubChem CID 123277160) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate
PubChem CID123277160
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Nameethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate
SMILESCCCC(F)(F)CC1CC1(NC)C(=O)OCC
InChIInChI=1S/C12H21F2NO2/c1-4-6-11(13,14)7-9-8-12(9,15-3)10(16)17-5-2/h9,15H,4-8H2,1-3H3
InChIKeyFKALZBWABFMLPB-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate (CID 123277160) is ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate is CCCC(F)(F)CC1CC1(NC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate?
The InChIKey is FKALZBWABFMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-4-6-11(13,14)7-9-8-12(9,15-3)10(16)17-5-2/h9,15H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate?
ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoropentyl)-1-(methylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 123277160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).