[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

C13H21F3N2O — CID 81466560

IUPAC[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCNC1CCN(C(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O/c1-17-11-5-6-18(8-11)12(19)9-3-2-4-10(7-9)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyPIMDWTYXSMFCLL-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 81466560) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID81466560
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCNC1CCN(C(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O/c1-17-11-5-6-18(8-11)12(19)9-3-2-4-10(7-9)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyPIMDWTYXSMFCLL-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (CID 81466560) is [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is CNC1CCN(C(=O)C2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is PIMDWTYXSMFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-17-11-5-6-18(8-11)12(19)9-3-2-4-10(7-9)13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
[3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 278.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 81466560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).