1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one

C10H16F3NO — CID 130507407

IUPAC1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C10H16F3NO/c1-7(15)6-14-5-4-8(9(14,2)3)10(11,12)13/h8H,4-6H2,1-3H3
InChIKeyWMNROATULWGAIK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds2

About 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one

1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one (PubChem CID 130507407) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
PubChem CID130507407
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C10H16F3NO/c1-7(15)6-14-5-4-8(9(14,2)3)10(11,12)13/h8H,4-6H2,1-3H3
InChIKeyWMNROATULWGAIK-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 53675880
2,4-Dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-one
CID 89692764
6,6,6-Trifluoro-2-methyl-2-pyrrolidin-1-ylhexan-3-one
CID 79056018
5-Ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-one
CID 79067892
1,1,1-Trifluoro-5-methyl-5-pyrrolidin-1-ylheptan-4-one
CID 79069476
1,2-Dimethyl-2-(trifluoromethyl)pyrrolidin-3-one
CID 83828303
6-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]hexan-2-one
CID 114271928
3-Methyl-3-(2,3,4-trimethylpyrrolidin-1-yl)butan-2-one
CID 20698780
1-(2,2-Dimethylpyrrolidin-1-yl)propan-2-one
CID 63217529
3-Methyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-one
CID 104487332
1-(2,2-Dimethylpyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395929
1-(2,2-Dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
CID 80448319

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one (CID 130507407) is 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one is CC(=O)CN1CCC(C(F)(F)F)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The InChIKey is WMNROATULWGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7(15)6-14-5-4-8(9(14,2)3)10(11,12)13/h8H,4-6H2,1-3H3.
What are the key properties of 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 130507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).