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

C7H10F3NO2 — CID 532126

IUPAC2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyQRYQSMKXOLWVRX-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds2

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

2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 532126) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
PubChem CID532126
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyQRYQSMKXOLWVRX-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n-(Tetrahydrofuran-2-ylmethyl)acetamide
CID 263164
2,2,2-trifluoroethyl N-(oxolan-2-ylmethyl)carbamate
CID 45792052
N-(oxolan-2-ylmethyl)formamide
CID 18171882
2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
CID 5237136
2,2,2-trifluoro-N-[2-[5-(methylamino)pentoxy]ethyl]acetamide
CID 118151604
N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide
CID 170084777
N-(oxolan-2-ylmethyl)prop-2-ynamide
CID 130015057
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(oxolan-2-ylmethyl)heptanamide
CID 3702492
2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
CID 4083879
2,2,2-trifluoro-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 17330453
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28595890
2,2,2-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 28595892

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide (CID 532126) is 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide is O=C(NCC1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QRYQSMKXOLWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h5H,1-4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.84, 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 532126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).