2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide

C22H23F4NO4 — CID 21260926

IUPAC2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide
SMILESCC1OC(OCc2ccccc2)C(F)C(OCc2ccccc2)C1NC(=O)C(F)(F)F
InChIInChI=1S/C22H23F4NO4/c1-14-18(27-21(28)22(24,25)26)19(29-12-15-8-4-2-5-9-15)17(23)20(31-14)30-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3,(H,27,28)
InChIKeyJXNCKABAOJNMJS-UHFFFAOYSA-N
MW441.42 g/mol
LogP3.92
Rot. Bonds7

About 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide

2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide (PubChem CID 21260926) has the molecular formula C22H23F4NO4 and a molecular weight of 441.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide
PubChem CID21260926
Molecular FormulaC22H23F4NO4
Molecular Weight441.42 g/mol
Exact Mass441.16
IUPAC Name2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide
SMILESCC1OC(OCc2ccccc2)C(F)C(OCc2ccccc2)C1NC(=O)C(F)(F)F
InChIInChI=1S/C22H23F4NO4/c1-14-18(27-21(28)22(24,25)26)19(29-12-15-8-4-2-5-9-15)17(23)20(31-14)30-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3,(H,27,28)
InChIKeyJXNCKABAOJNMJS-UHFFFAOYSA-N
XLogP3.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-benzyloxy-tetrahydro-pyran-4-yl ester
CID 538461
2-amino-N-[(2S,4R,5R)-4-methyl-2-phenyl-1,3-dioxan-5-yl]acetamide
CID 44452352
2-fluorobenzyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
CID 6617426
N-[(2S,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-yl]-2-phenylacetamide
CID 44435047
N-[(2R,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-yl]-2-phenylacetamide
CID 44435077
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1S)-1-phenylbut-3-enoxy]propan-2-yl]acetamide
CID 15737566
Bn-Bac
CID 156582322
Bn-DAT
CID 156582323
Bn-FucNAc
CID 156582324
6-Epipurpurosamine B
CID 127266
(8-Acetamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 291600
Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
CID 314448

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide (CID 21260926) is 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide is CC1OC(OCc2ccccc2)C(F)C(OCc2ccccc2)C1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide?
The InChIKey is JXNCKABAOJNMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO4/c1-14-18(27-21(28)22(24,25)26)19(29-12-15-8-4-2-5-9-15)17(23)20(31-14)30-13-16-10-6-3-7-11-16/h2-11,14,17-20H,12-13H2,1H3,(H,27,28).
What are the key properties of 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide?
2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide has a molecular weight of 441.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-fluoro-2-methyl-4,6-bis(phenylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 21260926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).