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

C10H16F3NO3 — CID 79039351

IUPAC4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(15)14-7-9(16)3-5-17-6-4-9/h16H,1-7H2,(H,14,15)
InChIKeyPWCVTLGOBYPUPQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds4

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

4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide (PubChem CID 79039351) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
PubChem CID79039351
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(15)14-7-9(16)3-5-17-6-4-9/h16H,1-7H2,(H,14,15)
InChIKeyPWCVTLGOBYPUPQ-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
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-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide (CID 79039351) is 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide is O=C(CCC(F)(F)F)NCC1(O)CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
The InChIKey is PWCVTLGOBYPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)2-1-8(15)14-7-9(16)3-5-17-6-4-9/h16H,1-7H2,(H,14,15).
What are the key properties of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 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-[(4-hydroxyoxan-4-yl)methyl]butanamide is sourced from PubChem (CID 79039351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).