N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C12H19F3N2O — CID 55149873

IUPACN-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CCNC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-3-1-2-4-10(9)17-11(18)8-5-6-16-7-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyZTNNGILCOODQMS-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.83
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 55149873) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID55149873
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)C1CCNC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-3-1-2-4-10(9)17-11(18)8-5-6-16-7-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyZTNNGILCOODQMS-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 55149873) is N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is O=C(NC1CCCCC1C(F)(F)F)C1CCNC1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is ZTNNGILCOODQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-3-1-2-4-10(9)17-11(18)8-5-6-16-7-8/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55149873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).