3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide

C9H16F2N2O — CID 130628505

IUPAC3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
SMILESCC(F)(F)CC(=O)NC1(C)CCNC1
InChIInChI=1S/C9H16F2N2O/c1-8(3-4-12-6-8)13-7(14)5-9(2,10)11/h12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUMMCMCNIQFVTPJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.90
Rot. Bonds3

About 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide

3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide (PubChem CID 130628505) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
PubChem CID130628505
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
SMILESCC(F)(F)CC(=O)NC1(C)CCNC1
InChIInChI=1S/C9H16F2N2O/c1-8(3-4-12-6-8)13-7(14)5-9(2,10)11/h12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUMMCMCNIQFVTPJ-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide (CID 130628505) is 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide is CC(F)(F)CC(=O)NC1(C)CCNC1.
What is the InChIKey of 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide?
The InChIKey is UMMCMCNIQFVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(3-4-12-6-8)13-7(14)5-9(2,10)11/h12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide?
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide has a molecular weight of 206.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 130628505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).