2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide

C9H16F2N2O — CID 82767383

IUPAC2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)F)CCCC1N
InChIInChI=1S/C9H16F2N2O/c1-9(4-2-3-6(9)12)8(14)13-5-7(10)11/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeySOWHPCWFYAAOQG-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82767383) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82767383
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)F)CCCC1N
InChIInChI=1S/C9H16F2N2O/c1-9(4-2-3-6(9)12)8(14)13-5-7(10)11/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeySOWHPCWFYAAOQG-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide (CID 82767383) is 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCC(F)F)CCCC1N.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is SOWHPCWFYAAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-9(4-2-3-6(9)12)8(14)13-5-7(10)11/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).