5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol

C12H21F3O2 — CID 15743166

IUPAC5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol
SMILESCCCCC(O)(CCCC)[C@@H]1O[C@H]1C(F)(F)F
InChIInChI=1S/C12H21F3O2/c1-3-5-7-11(16,8-6-4-2)9-10(17-9)12(13,14)15/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyCBPMRBAFLZHBMW-NXEZZACHSA-N
MW254.29 g/mol
LogP3.43
Rot. Bonds7

About 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol

5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol (PubChem CID 15743166) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol.

Molecular Properties

Compound Name5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol
PubChem CID15743166
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol
SMILESCCCCC(O)(CCCC)[C@@H]1O[C@H]1C(F)(F)F
InChIInChI=1S/C12H21F3O2/c1-3-5-7-11(16,8-6-4-2)9-10(17-9)12(13,14)15/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyCBPMRBAFLZHBMW-NXEZZACHSA-N
XLogP3.43
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-3-propyl-2-oxiranemethanol
CID 6551
1-[(2S,3R)-3-cyclohexyloxiran-2-yl]-2,2,2-trifluoroethane-1,1-diol
CID 134999621
2,2,2-trifluoro-1-[(2S,3R)-3-pentyloxiran-2-yl]ethane-1,1-diol
CID 134999837
2,2,2-trifluoro-1-[(2S,3R)-3-heptyloxiran-2-yl]ethane-1,1-diol
CID 134999847
2,2,2-trifluoro-1-[(2S,3R)-3-hexyloxiran-2-yl]ethane-1,1-diol
CID 135001194
11-[3-(Trifluoromethyl)oxiran-2-yl]henicosan-11-ol
CID 178251182
7-[3-(Trifluoromethyl)oxiran-2-yl]heptadecan-7-ol
CID 178251183
2-[(1-Cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
CID 58952845
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-Pentadecafluoro-1-(2-methyloxiran-2-yl)nonan-1-ol
CID 87404606
6-Butan-2-yloxy-3,5-dimethyl-5-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 91554333
5-[Difluoro(3-fluoropropoxy)methyl]nonan-5-ol
CID 118404531
4-Methyl-1-(2,2,2-trifluoroethoxy)decan-2-ol
CID 126657375

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol?
The IUPAC name of 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol (CID 15743166) is 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol.
What is the SMILES notation for 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol?
The canonical SMILES for 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol is CCCCC(O)(CCCC)[C@@H]1O[C@H]1C(F)(F)F.
What is the InChIKey of 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol?
The InChIKey is CBPMRBAFLZHBMW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-3-5-7-11(16,8-6-4-2)9-10(17-9)12(13,14)15/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol?
5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol has a molecular weight of 254.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-(trifluoromethyl)oxiran-2-yl]nonan-5-ol is sourced from PubChem (CID 15743166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).