N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide

C11H19F2NO2 — CID 165040651

IUPACN-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)OC(C(F)F)[C@@H](C)C1C
InChIInChI=1S/C11H19F2NO2/c1-5-6(2)10(11(12)13)16-7(3)9(5)14-8(4)15/h5-7,9-11H,1-4H3,(H,14,15)/t5?,6-,7?,9-,10?/m0/s1
InChIKeyOBQITCOKJWYCIS-JHBDBOOVSA-N
MW235.27 g/mol
LogP1.82
Rot. Bonds2

About N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide

N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide (PubChem CID 165040651) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide
PubChem CID165040651
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)OC(C(F)F)[C@@H](C)C1C
InChIInChI=1S/C11H19F2NO2/c1-5-6(2)10(11(12)13)16-7(3)9(5)14-8(4)15/h5-7,9-11H,1-4H3,(H,14,15)/t5?,6-,7?,9-,10?/m0/s1
InChIKeyOBQITCOKJWYCIS-JHBDBOOVSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide (CID 165040651) is N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide is CC(=O)N[C@@H]1C(C)OC(C(F)F)[C@@H](C)C1C.
What is the InChIKey of N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide?
The InChIKey is OBQITCOKJWYCIS-JHBDBOOVSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-5-6(2)10(11(12)13)16-7(3)9(5)14-8(4)15/h5-7,9-11H,1-4H3,(H,14,15)/t5?,6-,7?,9-,10?/m0/s1.
What are the key properties of N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide?
N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide has a molecular weight of 235.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide is sourced from PubChem (CID 165040651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).