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

C12H19F3N2O — CID 43711798

IUPACN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CCCN1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyRWFSXLFAMBFATQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.98
Rot. Bonds2

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

N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 43711798) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID43711798
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CCCN1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyRWFSXLFAMBFATQ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 43711798) is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)C1CCCN1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is RWFSXLFAMBFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)8-3-1-4-9(7-8)17-11(18)10-5-2-6-16-10/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43711798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).