oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol

C12H19F3O2 — CID 105097734

IUPACoxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(C1CCOC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h8-11,16H,1-7H2
InChIKeyPHAHKOGJOBKFIL-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.75
Rot. Bonds2

About oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol

oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105097734) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Nameoxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105097734
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Nameoxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(C1CCOC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h8-11,16H,1-7H2
InChIKeyPHAHKOGJOBKFIL-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105097734) is oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol is OC(C1CCOC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is PHAHKOGJOBKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h8-11,16H,1-7H2.
What are the key properties of oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol?
oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105097734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).