3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C10H17F2NO3 — CID 103209152

IUPAC3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(CO)CC1
InChIInChI=1S/C10H17F2NO3/c11-8(12)5-16-4-1-9(15)13-6-10(7-14)2-3-10/h8,14H,1-7H2,(H,13,15)
InChIKeyIZPJLKMPUFAZRX-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.55
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 103209152) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID103209152
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(CO)CC1
InChIInChI=1S/C10H17F2NO3/c11-8(12)5-16-4-1-9(15)13-6-10(7-14)2-3-10/h8,14H,1-7H2,(H,13,15)
InChIKeyIZPJLKMPUFAZRX-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.55
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 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 103209152) is 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is O=C(CCOCC(F)F)NCC1(CO)CC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is IZPJLKMPUFAZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-8(12)5-16-4-1-9(15)13-6-10(7-14)2-3-10/h8,14H,1-7H2,(H,13,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 237.25 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 103209152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).