(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H17F3N2O — CID 63709889

IUPAC(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-8-3-2-6-16(8)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,2-7H2,1H3
InChIKeyYLJJNMOYPMZWKE-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.54
Rot. Bonds1

About (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709889) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709889
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O/c1-8-3-2-6-16(8)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,2-7H2,1H3
InChIKeyYLJJNMOYPMZWKE-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 63709885
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63720627
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
CID 63708258
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710206
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
CID 83099006
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708237
(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572823
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709889) is (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CCCN1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YLJJNMOYPMZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8-3-2-6-16(8)9(17)10(11(12,13)14)4-5-15-7-10/h8,15H,2-7H2,1H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 250.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).