N-(1-cyanocyclopentyl)-2,2-difluoropropanamide

C9H12F2N2O — CID 131036045

IUPACN-(1-cyanocyclopentyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H12F2N2O/c1-8(10,11)7(14)13-9(6-12)4-2-3-5-9/h2-5H2,1H3,(H,13,14)
InChIKeyZMLNNNMMLJGVKF-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.59
Rot. Bonds2

About N-(1-cyanocyclopentyl)-2,2-difluoropropanamide

N-(1-cyanocyclopentyl)-2,2-difluoropropanamide (PubChem CID 131036045) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2,2-difluoropropanamide
PubChem CID131036045
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC NameN-(1-cyanocyclopentyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H12F2N2O/c1-8(10,11)7(14)13-9(6-12)4-2-3-5-9/h2-5H2,1H3,(H,13,14)
InChIKeyZMLNNNMMLJGVKF-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2,2-difluoropropanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2,2-difluoropropanamide (CID 131036045) is N-(1-cyanocyclopentyl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2,2-difluoropropanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2,2-difluoropropanamide is CC(F)(F)C(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2,2-difluoropropanamide?
The InChIKey is ZMLNNNMMLJGVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-8(10,11)7(14)13-9(6-12)4-2-3-5-9/h2-5H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanocyclopentyl)-2,2-difluoropropanamide?
N-(1-cyanocyclopentyl)-2,2-difluoropropanamide has a molecular weight of 202.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2,2-difluoropropanamide is sourced from PubChem (CID 131036045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).