3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide

C10H17F2NO2 — CID 103208989

IUPAC3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H17F2NO2/c1-2-3-4-6-13-10(14)5-7-15-8-9(11)12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2+
InChIKeyPNVKJMQPWQAERF-NSCUHMNNSA-N
MW221.25 g/mol
LogP1.74
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide

3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide (PubChem CID 103208989) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide
PubChem CID103208989
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H17F2NO2/c1-2-3-4-6-13-10(14)5-7-15-8-9(11)12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2+
InChIKeyPNVKJMQPWQAERF-NSCUHMNNSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide (CID 103208989) is 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide is C/C=C/CCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide?
The InChIKey is PNVKJMQPWQAERF-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-3-4-6-13-10(14)5-7-15-8-9(11)12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide has a molecular weight of 221.25 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(E)-pent-3-enyl]propanamide is sourced from PubChem (CID 103208989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).