methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate

C10H16F3NO3 — CID 106523320

IUPACmethyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(8(15)16-2,10(11,12)13)14-6-7-4-3-5-17-7/h7,14H,3-6H2,1-2H3
InChIKeyPJDGQZHMJATLFE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds4

About methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate

methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate (PubChem CID 106523320) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate
PubChem CID106523320
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(8(15)16-2,10(11,12)13)14-6-7-4-3-5-17-7/h7,14H,3-6H2,1-2H3
InChIKeyPJDGQZHMJATLFE-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174931825
Ethyl 2-(difluoromethyl)pyrrolidine-2-carboxylate
CID 12171072
Ethyl 2-Trifluoromethyl-pyrrolidine-2-carboxylate
CID 50998646
3,3,3-Trifluoro-2-methyl-2-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 79790343
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 79791816
ethyl (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 95212008
ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 95212009
3,3,3-Trifluoro-2-methyl-2-[(5-methyloxolan-2-yl)methylamino]propanoic acid
CID 103135999
3,3-Difluoro-5-[[3-(2-methylpropoxy)propylamino]methyl]oxolan-2-one
CID 105677335
5-[[(1-Ethoxy-3-methylbutan-2-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105807258
3,3-Difluoro-5-[(5-methoxypentylamino)methyl]oxolan-2-one
CID 105934656
3,3-Difluoro-5-[(4-propan-2-yloxybutylamino)methyl]oxolan-2-one
CID 106009932

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate (CID 106523320) is methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate is COC(=O)C(C)(NCC1CCCO1)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate?
The InChIKey is PJDGQZHMJATLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(8(15)16-2,10(11,12)13)14-6-7-4-3-5-17-7/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate?
methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoate is sourced from PubChem (CID 106523320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).