N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H21F3N2O — CID 55227277

IUPACN-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)9(3)17(4)10(18)11(12(13,14)15)5-6-16-7-11/h8-9,16H,5-7H2,1-4H3
InChIKeyIDZXAGGBMSGNIN-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227277) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227277
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)9(3)17(4)10(18)11(12(13,14)15)5-6-16-7-11/h8-9,16H,5-7H2,1-4H3
InChIKeyIDZXAGGBMSGNIN-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227277) is N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)C(C)N(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is IDZXAGGBMSGNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)9(3)17(4)10(18)11(12(13,14)15)5-6-16-7-11/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).