methyl 2-(1,1-difluoropropan-2-ylamino)propanoate

C7H13F2NO2 — CID 102869349

IUPACmethyl 2-(1,1-difluoropropan-2-ylamino)propanoate
SMILESCOC(=O)C(C)NC(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(6(8)9)10-5(2)7(11)12-3/h4-6,10H,1-3H3
InChIKeyLTJXNYRRNZGSQN-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-(1,1-difluoropropan-2-ylamino)propanoate

methyl 2-(1,1-difluoropropan-2-ylamino)propanoate (PubChem CID 102869349) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is methyl 2-(1,1-difluoropropan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,1-difluoropropan-2-ylamino)propanoate
PubChem CID102869349
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Namemethyl 2-(1,1-difluoropropan-2-ylamino)propanoate
SMILESCOC(=O)C(C)NC(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(6(8)9)10-5(2)7(11)12-3/h4-6,10H,1-3H3
InChIKeyLTJXNYRRNZGSQN-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
CID 102868458
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
methyl 3,3-difluoro-2-(hydroxymethyl)propanoate
CID 84716544
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl (2R)-2-acetamidopropanoate
CID 6951031

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1-difluoropropan-2-ylamino)propanoate?
The IUPAC name of methyl 2-(1,1-difluoropropan-2-ylamino)propanoate (CID 102869349) is methyl 2-(1,1-difluoropropan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(1,1-difluoropropan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(1,1-difluoropropan-2-ylamino)propanoate is COC(=O)C(C)NC(C)C(F)F.
What is the InChIKey of methyl 2-(1,1-difluoropropan-2-ylamino)propanoate?
The InChIKey is LTJXNYRRNZGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-4(6(8)9)10-5(2)7(11)12-3/h4-6,10H,1-3H3.
What are the key properties of methyl 2-(1,1-difluoropropan-2-ylamino)propanoate?
methyl 2-(1,1-difluoropropan-2-ylamino)propanoate has a molecular weight of 181.18 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1-difluoropropan-2-ylamino)propanoate is sourced from PubChem (CID 102869349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).