methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate

C7H11F2NO2 — CID 57445161

IUPACmethyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N)CC1CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)7(10)3-4(7)2-5(8)9/h4-5H,2-3,10H2,1H3
InChIKeyHAGALRMMCHXJLF-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.53
Rot. Bonds3

About methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate

methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate (PubChem CID 57445161) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate
PubChem CID57445161
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namemethyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N)CC1CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)7(10)3-4(7)2-5(8)9/h4-5H,2-3,10H2,1H3
InChIKeyHAGALRMMCHXJLF-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate (CID 57445161) is methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate is COC(=O)C1(N)CC1CC(F)F.
What is the InChIKey of methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate?
The InChIKey is HAGALRMMCHXJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-12-6(11)7(10)3-4(7)2-5(8)9/h4-5H,2-3,10H2,1H3.
What are the key properties of methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate?
methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-(2,2-difluoroethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 57445161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).