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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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).