3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide

C9H16F2N2O — CID 130600899

IUPAC3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)C(F)(F)CN)C1
InChIInChI=1S/C9H16F2N2O/c1-6-2-3-7(4-6)13-8(14)9(10,11)5-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyBFTOUGJXOGAIMM-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.89
Rot. Bonds3

About 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide

3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide (PubChem CID 130600899) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide
PubChem CID130600899
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)C(F)(F)CN)C1
InChIInChI=1S/C9H16F2N2O/c1-6-2-3-7(4-6)13-8(14)9(10,11)5-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyBFTOUGJXOGAIMM-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 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide (CID 130600899) is 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)C(F)(F)CN)C1.
What is the InChIKey of 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide?
The InChIKey is BFTOUGJXOGAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6-2-3-7(4-6)13-8(14)9(10,11)5-12/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide?
3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide 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 3-amino-2,2-difluoro-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 130600899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).