N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3NO2 — CID 164630389

IUPACN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-3-2-4-15-5-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyUQQQYIRMZSSBRQ-QMMMGPOBSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds2

About N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 164630389) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID164630389
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-3-2-4-15-5-8/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyUQQQYIRMZSSBRQ-QMMMGPOBSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-pentyl-N-(2-pentyloxyethyl)trifluoro-
CID 91737620
2,2,2-trifluoro-N-methyl-N-(oxan-4-yl)acetamide
CID 64591128
1-(4,4-Difluoro-3-methoxypiperidin-1-yl)ethanone
CID 118504502
1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone
CID 118504503
1-[3-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 126758356
trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate
CID 135383340
N-ethyl-2,2,2-trifluoro-N-(oxan-4-yl)acetamide
CID 164002132
2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62726928
2,2,2-Trifluoro-1-(3-propoxypiperidin-1-yl)ethanone
CID 62728793
1-(3-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62728982
2,2,2-trifluoro-N-(oxan-3-yl)acetamide
CID 63613759
1-(3-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 64263532

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 164630389) is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)[C@H]1CCCOC1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UQQQYIRMZSSBRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-3-2-4-15-5-8/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 164630389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).