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

C11H18F3NO3 — CID 114951587

IUPAC4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-15(9(16)2-3-11(12,13)14)8-10(17)4-6-18-7-5-10/h17H,2-8H2,1H3
InChIKeyPGRMNWGCOYTAJJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.33
Rot. Bonds4

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

4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide (PubChem CID 114951587) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide
PubChem CID114951587
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide
SMILESCN(CC1(O)CCOCC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-15(9(16)2-3-11(12,13)14)8-10(17)4-6-18-7-5-10/h17H,2-8H2,1H3
InChIKeyPGRMNWGCOYTAJJ-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
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]-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide (CID 114951587) is 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide is CN(CC1(O)CCOCC1)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide?
The InChIKey is PGRMNWGCOYTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-15(9(16)2-3-11(12,13)14)8-10(17)4-6-18-7-5-10/h17H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide?
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide has a molecular weight of 269.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 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]-N-methylbutanamide is sourced from PubChem (CID 114951587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).