oxolan-3-yl-(2,4,6-trifluorophenyl)methanol

C11H11F3O2 — CID 61277498

IUPACoxolan-3-yl-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1c(F)cc(F)cc1F)C1CCOC1
InChIInChI=1S/C11H11F3O2/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6,11,15H,1-2,5H2
InChIKeyNKKMOFUGKCTHRI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.17
Rot. Bonds2

About oxolan-3-yl-(2,4,6-trifluorophenyl)methanol

oxolan-3-yl-(2,4,6-trifluorophenyl)methanol (PubChem CID 61277498) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is oxolan-3-yl-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl-(2,4,6-trifluorophenyl)methanol
PubChem CID61277498
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Nameoxolan-3-yl-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1c(F)cc(F)cc1F)C1CCOC1
InChIInChI=1S/C11H11F3O2/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6,11,15H,1-2,5H2
InChIKeyNKKMOFUGKCTHRI-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
CID 107135674
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
3-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]oxolane
CID 106879708
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of oxolan-3-yl-(2,4,6-trifluorophenyl)methanol (CID 61277498) is oxolan-3-yl-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for oxolan-3-yl-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for oxolan-3-yl-(2,4,6-trifluorophenyl)methanol is OC(c1c(F)cc(F)cc1F)C1CCOC1.
What is the InChIKey of oxolan-3-yl-(2,4,6-trifluorophenyl)methanol?
The InChIKey is NKKMOFUGKCTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-7-3-8(13)10(9(14)4-7)11(15)6-1-2-16-5-6/h3-4,6,11,15H,1-2,5H2.
What are the key properties of oxolan-3-yl-(2,4,6-trifluorophenyl)methanol?
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol has a molecular weight of 232.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61277498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).