3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide

C6H10F3NO2 — CID 155152835

IUPAC3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
SMILESO=C(CCO)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)2-3-10-5(12)1-4-11/h11H,1-4H2,(H,10,12)
InChIKeyNJWGYQCAMDNOOM-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds4

About 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide

3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 155152835) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID155152835
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
SMILESO=C(CCO)NCCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)2-3-10-5(12)1-4-11/h11H,1-4H2,(H,10,12)
InChIKeyNJWGYQCAMDNOOM-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide (CID 155152835) is 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide is O=C(CCO)NCCC(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is NJWGYQCAMDNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)2-3-10-5(12)1-4-11/h11H,1-4H2,(H,10,12).
What are the key properties of 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide?
3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 155152835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).