2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

C9H14F3NO3 — CID 114951483

IUPAC2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(7(14)9(10,11)12)6-8(15)2-4-16-5-3-8/h15H,2-6H2,1H3
InChIKeyVBLGADROVXCOKE-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.55
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (PubChem CID 114951483) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
PubChem CID114951483
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(7(14)9(10,11)12)6-8(15)2-4-16-5-3-8/h15H,2-6H2,1H3
InChIKeyVBLGADROVXCOKE-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (CID 114951483) is 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is CN(CC1(O)CCOCC1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The InChIKey is VBLGADROVXCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(7(14)9(10,11)12)6-8(15)2-4-16-5-3-8/h15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide has a molecular weight of 241.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 114951483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).