2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide

C8H12F3NO2 — CID 62729356

IUPAC2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13)
InChIKeyUYUGEYHXJOIZMC-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds2

About 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide

2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide (PubChem CID 62729356) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide
PubChem CID62729356
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13)
InChIKeyUYUGEYHXJOIZMC-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide
CID 134831653
2,2,2-trifluoro-N-(6-methyloxan-2-yl)acetamide
CID 53961398
N-(2,2,2-Trifluoroethyl)oxane-2-carboxamide
CID 139027115
2,2,2-trifluoro-N-[(4-hydroxyoxan-2-yl)methyl]acetamide
CID 144092318
N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide
CID 154947090
N-[(S)-methoxy-[(2S)-oxan-2-yl]methyl]acetamide
CID 102159314
N-[methoxy(oxan-2-yl)methyl]acetamide
CID 130020085
2,2,2-trifluoro-N-[(2S,3R)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide
CID 10493238
2,2,2-trifluoro-N-[(2S,3S)-2-[(2-methylpropan-2-yl)oxy]heptan-3-yl]acetamide
CID 10636714
2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 43403679
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propanamide
CID 45806630
N-(oxan-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54941853

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide (CID 62729356) is 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide is O=C(NCC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is UYUGEYHXJOIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 62729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).