N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide

C10H17F2NO2 — CID 165005458

IUPACN-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)OC(CF)[C@@H](F)C1C
InChIInChI=1S/C10H17F2NO2/c1-5-9(12)8(4-11)15-6(2)10(5)13-7(3)14/h5-6,8-10H,4H2,1-3H3,(H,13,14)/t5?,6?,8?,9-,10-/m0/s1
InChIKeyIWWGEOFOTRECLU-HDTOCPLWSA-N
MW221.25 g/mol
LogP1.22
Rot. Bonds2

About N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide

N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide (PubChem CID 165005458) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
PubChem CID165005458
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)OC(CF)[C@@H](F)C1C
InChIInChI=1S/C10H17F2NO2/c1-5-9(12)8(4-11)15-6(2)10(5)13-7(3)14/h5-6,8-10H,4H2,1-3H3,(H,13,14)/t5?,6?,8?,9-,10-/m0/s1
InChIKeyIWWGEOFOTRECLU-HDTOCPLWSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide (CID 165005458) is N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide is CC(=O)N[C@@H]1C(C)OC(CF)[C@@H](F)C1C.
What is the InChIKey of N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?
The InChIKey is IWWGEOFOTRECLU-HDTOCPLWSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-5-9(12)8(4-11)15-6(2)10(5)13-7(3)14/h5-6,8-10H,4H2,1-3H3,(H,13,14)/t5?,6?,8?,9-,10-/m0/s1.
What are the key properties of N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?
N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 165005458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).