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

C8H12F3NO3 — CID 79039526

IUPAC2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(NCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(13)12-5-7(14)1-3-15-4-2-7/h14H,1-5H2,(H,12,13)
InChIKeyNCOHRYXIMQJPKS-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.21
Rot. Bonds2

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

2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 79039526) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID79039526
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(NCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(13)12-5-7(14)1-3-15-4-2-7/h14H,1-5H2,(H,12,13)
InChIKeyNCOHRYXIMQJPKS-UHFFFAOYSA-N
XLogP0.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 78929542
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79038939
N-[(4-hydroxyoxan-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 79039103
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
CID 79039351
3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039443
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81130106
4-[(2,2-Difluoroethylamino)methyl]oxan-4-ol
CID 81130270
2-amino-3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpropanamide
CID 81130377
4-[(3,3,3-Trifluoropropylamino)methyl]oxan-4-ol
CID 81130526
4-[(2,2,2-Trifluoroethylamino)methyl]oxan-4-ol
CID 81130528
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]oxan-4-ol
CID 81130704
4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxan-4-ol
CID 81130959

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 79039526) is 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is O=C(NCC1(O)CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is NCOHRYXIMQJPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)6(13)12-5-7(14)1-3-15-4-2-7/h14H,1-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 227.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 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]acetamide is sourced from PubChem (CID 79039526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).