2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide

C10H16F3NO2 — CID 20816369

IUPAC2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
SMILESCC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1
InChIInChI=1S/C10H16F3NO2/c1-5-4-8(6(2)7(3)16-5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyZMDDKEKHNWOTQC-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds1

About 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide

2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide (PubChem CID 20816369) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
PubChem CID20816369
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
SMILESCC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1
InChIInChI=1S/C10H16F3NO2/c1-5-4-8(6(2)7(3)16-5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyZMDDKEKHNWOTQC-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-[(2-Ethylhexyl)oxy]propyl)-2,2,2-trifluoroacetamide
CID 91721560
2,2,2-trifluoro-N-[(2S,3R,4S,6S)-2,3,6-trimethyloxan-4-yl]acetamide
CID 60018446
methyl 2,3,4,6-tetradeoxy-4-C-methyl-3-trifluoroacetamido-alpha-L-arabino-hexopyranoside
CID 86738948
2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
CID 87194404
N-[(2S,3R,4S)-6-chloro-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88700101
2,2,2-trifluoro-N-[(2S,3R,4S)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
CID 145798352
N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
CID 158829517
N-[(2R,3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide
CID 159947221
N-[(3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
CID 165005458
N-[(3S,5S)-6-(difluoromethyl)-2,4,5-trimethyloxan-3-yl]acetamide
CID 165040651
N-[3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
CID 170758105
N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
CID 174797414

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide (CID 20816369) is 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide is CC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide?
The InChIKey is ZMDDKEKHNWOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-5-4-8(6(2)7(3)16-5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide?
2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide has a molecular weight of 239.24 g/mol, XLogP of 1.87, 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-(2,3,6-trimethyloxan-4-yl)acetamide is sourced from PubChem (CID 20816369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).