(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H20F3NO — CID 116572823

IUPAC(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCC(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H20F3NO/c1-9-3-2-4-10(7-9)11(18)12(13(14,15)16)5-6-17-8-12/h9-10,17H,2-8H2,1H3
InChIKeyVGVCCPKNPCCEOE-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.92
Rot. Bonds2

About (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572823) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572823
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCC(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H20F3NO/c1-9-3-2-4-10(7-9)11(18)12(13(14,15)16)5-6-17-8-12/h9-10,17H,2-8H2,1H3
InChIKeyVGVCCPKNPCCEOE-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569925
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103308296
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710206
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572823) is (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CCCC(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is VGVCCPKNPCCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-9-3-2-4-10(7-9)11(18)12(13(14,15)16)5-6-17-8-12/h9-10,17H,2-8H2,1H3.
What are the key properties of (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 263.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).