N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide

C12H20F2N2O — CID 114226260

IUPACN-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(F)(F)C1)C1CCNC1
InChIInChI=1S/C12H20F2N2O/c1-2-16(10-4-6-15-8-10)11(17)9-3-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3
InChIKeyZGPDQZUTDVXYBH-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds3

About N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide

N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide (PubChem CID 114226260) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
PubChem CID114226260
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(F)(F)C1)C1CCNC1
InChIInChI=1S/C12H20F2N2O/c1-2-16(10-4-6-15-8-10)11(17)9-3-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3
InChIKeyZGPDQZUTDVXYBH-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide (CID 114226260) is N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide is CCN(C(=O)C1CCC(F)(F)C1)C1CCNC1.
What is the InChIKey of N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
The InChIKey is ZGPDQZUTDVXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-2-16(10-4-6-15-8-10)11(17)9-3-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3.
What are the key properties of N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide?
N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-N-pyrrolidin-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 114226260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).