4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide

C9H15F2N3O2 — CID 175824282

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide
SMILESNC(=O)C(CCN1CCC(F)(F)C1)NC=O
InChIInChI=1S/C9H15F2N3O2/c10-9(11)2-4-14(5-9)3-1-7(8(12)16)13-6-15/h6-7H,1-5H2,(H2,12,16)(H,13,15)
InChIKeyYGQKFGVWFPNLCK-UHFFFAOYSA-N
MW235.23 g/mol
LogP-0.68
Rot. Bonds6

About 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide

4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide (PubChem CID 175824282) has the molecular formula C9H15F2N3O2 and a molecular weight of 235.23 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide
PubChem CID175824282
Molecular FormulaC9H15F2N3O2
Molecular Weight235.23 g/mol
Exact Mass235.11
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide
SMILESNC(=O)C(CCN1CCC(F)(F)C1)NC=O
InChIInChI=1S/C9H15F2N3O2/c10-9(11)2-4-14(5-9)3-1-7(8(12)16)13-6-15/h6-7H,1-5H2,(H2,12,16)(H,13,15)
InChIKeyYGQKFGVWFPNLCK-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide (CID 175824282) is 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide is NC(=O)C(CCN1CCC(F)(F)C1)NC=O.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide?
The InChIKey is YGQKFGVWFPNLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O2/c10-9(11)2-4-14(5-9)3-1-7(8(12)16)13-6-15/h6-7H,1-5H2,(H2,12,16)(H,13,15).
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide?
4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide has a molecular weight of 235.23 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-2-formamidobutanamide is sourced from PubChem (CID 175824282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).