3,3-difluoro-N-(2-hydroxyethyl)propanamide

C5H9F2NO2 — CID 88626313

IUPAC3,3-difluoro-N-(2-hydroxyethyl)propanamide
SMILESO=C(CC(F)F)NCCO
InChIInChI=1S/C5H9F2NO2/c6-4(7)3-5(10)8-1-2-9/h4,9H,1-3H2,(H,8,10)
InChIKeyVEGVYEYHAYVDQP-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.25
Rot. Bonds4

About 3,3-difluoro-N-(2-hydroxyethyl)propanamide

3,3-difluoro-N-(2-hydroxyethyl)propanamide (PubChem CID 88626313) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-hydroxyethyl)propanamide
PubChem CID88626313
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3,3-difluoro-N-(2-hydroxyethyl)propanamide
SMILESO=C(CC(F)F)NCCO
InChIInChI=1S/C5H9F2NO2/c6-4(7)3-5(10)8-1-2-9/h4,9H,1-3H2,(H,8,10)
InChIKeyVEGVYEYHAYVDQP-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.25
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-(2-hydroxyethyl)propanamide?
The IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)propanamide (CID 88626313) is 3,3-difluoro-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3,3-difluoro-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3,3-difluoro-N-(2-hydroxyethyl)propanamide is O=C(CC(F)F)NCCO.
What is the InChIKey of 3,3-difluoro-N-(2-hydroxyethyl)propanamide?
The InChIKey is VEGVYEYHAYVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-4(7)3-5(10)8-1-2-9/h4,9H,1-3H2,(H,8,10).
What are the key properties of 3,3-difluoro-N-(2-hydroxyethyl)propanamide?
3,3-difluoro-N-(2-hydroxyethyl)propanamide has a molecular weight of 153.13 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 88626313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).