4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

C9H14F3NO3 — CID 103849084

IUPAC4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)2-1-7(14)13-5-8(15)3-4-16-6-8/h15H,1-6H2,(H,13,14)
InChIKeyWYCDZHJHXVVAQR-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.60
Rot. Bonds4

About 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (PubChem CID 103849084) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
PubChem CID103849084
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)2-1-7(14)13-5-8(15)3-4-16-6-8/h15H,1-6H2,(H,13,14)
InChIKeyWYCDZHJHXVVAQR-UHFFFAOYSA-N
XLogP0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (CID 103849084) is 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is O=C(CCC(F)(F)F)NCC1(O)CCOC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The InChIKey is WYCDZHJHXVVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)2-1-7(14)13-5-8(15)3-4-16-6-8/h15H,1-6H2,(H,13,14).
What are the key properties of 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide has a molecular weight of 241.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 103849084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).