N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide

C9H18F2N2O2 — CID 145401045

IUPACN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14)
InChIKeyDHFCOKTUQRQUJZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.51
Rot. Bonds8

About N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide

N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide (PubChem CID 145401045) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
PubChem CID145401045
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14)
InChIKeyDHFCOKTUQRQUJZ-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide (CID 145401045) is N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide.
What is the SMILES notation for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The canonical SMILES for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide is CCC(=O)NCCCOCC(F)(F)CN.
What is the InChIKey of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The InChIKey is DHFCOKTUQRQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14).
What are the key properties of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide has a molecular weight of 224.25 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide is sourced from PubChem (CID 145401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).