2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C8H12F3NO2 — CID 63199305

IUPAC2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)5-6-3-2-4-14-6/h6H,2-5H2,1H3
InChIKeyFRIKIDPQAWXJLI-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.19
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 63199305) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID63199305
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)5-6-3-2-4-14-6/h6H,2-5H2,1H3
InChIKeyFRIKIDPQAWXJLI-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2,2,2-trifluoro-
CID 532126
Acetamide, N-pentyl-N-(2-pentyloxyethyl)trifluoro-
CID 91737620
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
2,2-difluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 121261738
2,2,2-Trifluoro-1-[2-(propoxymethyl)pyrrolidin-1-yl]ethanone
CID 145581935
N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]oxolane-2-carboxamide
CID 10635655
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propanamide
CID 45806630
N-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56806495
2,2,2-Trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 60707733
2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
CID 61238690
2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 61355732
2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62726928

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 63199305) is 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FRIKIDPQAWXJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-12(7(13)8(9,10)11)5-6-3-2-4-14-6/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 63199305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).