methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate

C8H13F2NO2 — CID 103260414

IUPACmethyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)F)C1CC1
InChIInChI=1S/C8H13F2NO2/c1-13-8(12)7(5-2-3-5)11-4-6(9)10/h5-7,11H,2-4H2,1H3
InChIKeyKTJZPCFGHDRKSR-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate

methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate (PubChem CID 103260414) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate
PubChem CID103260414
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)F)C1CC1
InChIInChI=1S/C8H13F2NO2/c1-13-8(12)7(5-2-3-5)11-4-6(9)10/h5-7,11H,2-4H2,1H3
InChIKeyKTJZPCFGHDRKSR-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-(trifluoroacetyl)-L-leucinate
CID 14389998
Methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
CID 62389449
cis-methyl (1S,2S)-1-acetamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 101861371
trans-methyl (1S,2R)-1-acetamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 101861372
methyl (2S,4R)-5,5,5-trifluoro-2,4-dimethyl-2-(methylamino)pentanoate
CID 134833336
methyl (2S)-4-fluoro-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 138971641
methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
CID 7015051
methyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 10921446
ethyl (3S)-3-cyclopropyl-2,2-difluoro-3-[(2-methoxy-2-oxoethyl)amino]propanoate
CID 124260658
methyl (2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 11514247
l-Isoleucine, N-trifluoroacetyl-, methyl ester
CID 14535218
Methyl 4-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate
CID 108092925

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate (CID 103260414) is methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate is COC(=O)C(NCC(F)F)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate?
The InChIKey is KTJZPCFGHDRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-13-8(12)7(5-2-3-5)11-4-6(9)10/h5-7,11H,2-4H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate?
methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate has a molecular weight of 193.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2,2-difluoroethylamino)acetate is sourced from PubChem (CID 103260414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).