2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide

C8H12F3NO2 — CID 103899257

IUPAC2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)CCCOC1
InChIInChI=1S/C8H12F3NO2/c1-7(3-2-4-14-5-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyYSUNGOSGPCCDOS-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide

2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide (PubChem CID 103899257) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
PubChem CID103899257
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
SMILESCC1(NC(=O)C(F)(F)F)CCCOC1
InChIInChI=1S/C8H12F3NO2/c1-7(3-2-4-14-5-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyYSUNGOSGPCCDOS-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

2,2-difluoro-N-(4-methyloxan-4-yl)acetamide
CID 103516067
2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate
CID 103896154
2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide
CID 103899295
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methyloxan-3-yl)propanamide
CID 105797624
2,2,3,3,3-pentafluoro-N-(3-methyloxan-3-yl)propanamide
CID 105804540
2,2-difluoro-N-(3-methyloxan-3-yl)acetamide
CID 107168188
2,2,2-trifluoro-N-(4-methyloxan-4-yl)acetamide
CID 115759638
2-fluoro-2-methyl-N-(3-methyloxan-3-yl)propanamide
CID 130562158
2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide
CID 145089102
2,2-difluoro-N-(3-methyloxan-3-yl)cyclopropane-1-carboxamide
CID 167864479
N-(3-methyloxan-3-yl)butanamide
CID 103896975
2-ethoxy-N-(3-methyloxan-3-yl)acetamide
CID 103896980

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide (CID 103899257) is 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide is CC1(NC(=O)C(F)(F)F)CCCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide?
The InChIKey is YSUNGOSGPCCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-7(3-2-4-14-5-7)12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide?
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 1 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-(3-methyloxan-3-yl)acetamide is sourced from PubChem (CID 103899257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).