2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide

C10H15F3INO2 — CID 132568112

IUPAC2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
SMILESCC1(C)OC(C)(C)[C@@H](NC(=O)C(F)(F)F)[C@@H]1I
InChIInChI=1S/C10H15F3INO2/c1-8(2)5(14)6(9(3,4)17-8)15-7(16)10(11,12)13/h5-6H,1-4H3,(H,15,16)/t5-,6-/m0/s1
InChIKeyDGVNQNIOXGTPOI-WDSKDSINSA-N
MW365.13 g/mol
LogP2.42
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide (PubChem CID 132568112) has the molecular formula C10H15F3INO2 and a molecular weight of 365.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
PubChem CID132568112
Molecular FormulaC10H15F3INO2
Molecular Weight365.13 g/mol
Exact Mass365.01
IUPAC Name2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide
SMILESCC1(C)OC(C)(C)[C@@H](NC(=O)C(F)(F)F)[C@@H]1I
InChIInChI=1S/C10H15F3INO2/c1-8(2)5(14)6(9(3,4)17-8)15-7(16)10(11,12)13/h5-6H,1-4H3,(H,15,16)/t5-,6-/m0/s1
InChIKeyDGVNQNIOXGTPOI-WDSKDSINSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-1-ium-4-yl]acetamide
CID 6968358
2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide
CID 1114902
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-6-hydroxy-3-methoxy-2,3-dimethyloxan-4-yl]acetamide
CID 88768393
2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate
CID 174501695
N-[(2S,3R,4S)-6-chloro-3-methoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88767486
2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
CID 97305493
N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide
CID 104701916
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 139606156
N-[(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-2,2,2-trifluoroacetamide
CID 88776542
N-[(2S,3R,4S)-3,6-dihydroxy-2-methyl-3-methylsulfonyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 86750394
N-[(3aR,4R,6S,7R,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 11130786
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
CID 162581118

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide (CID 132568112) is 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide is CC1(C)OC(C)(C)[C@@H](NC(=O)C(F)(F)F)[C@@H]1I.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide?
The InChIKey is DGVNQNIOXGTPOI-WDSKDSINSA-N. The full InChI is InChI=1S/C10H15F3INO2/c1-8(2)5(14)6(9(3,4)17-8)15-7(16)10(11,12)13/h5-6H,1-4H3,(H,15,16)/t5-,6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide has a molecular weight of 365.13 g/mol, XLogP of 2.42, 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-[(3R,4S)-4-iodo-2,2,5,5-tetramethyloxolan-3-yl]acetamide is sourced from PubChem (CID 132568112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).