propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H16F3NO2 — CID 177327328

IUPACpropan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC1(C)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-6-4-5-9(14,3)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyYGNZCNUCYOYZLZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.95
Rot. Bonds1

About propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate

propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 177327328) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID177327328
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namepropan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC1(C)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-6-4-5-9(14,3)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyYGNZCNUCYOYZLZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate
CID 91516518
1,2-dimethyl-2-(trifluoromethyl)pyrrolidine
CID 166688559
propan-2-yl 2-(trifluoromethyl)azepane-1-carboxylate
CID 177327456
ethane;propan-2-yl 3-cyano-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177326225
propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
CID 106668534
1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 176781659
1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 142538557
propan-2-yl 4,4-diethylpiperidine-1-carboxylate
CID 116655860
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
propan-2-yl 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane-5-carboxylate
CID 177327377

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 177327328) is propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)OC(=O)N1CCCC1(C)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is YGNZCNUCYOYZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(2)16-8(15)14-6-4-5-9(14,3)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 177327328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).