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

C11H11F3O2 — CID 63893972

IUPACoxolan-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1CCOC1
InChIInChI=1S/C11H11F3O2/c12-8-2-1-7(9(13)10(8)14)11(15)6-3-4-16-5-6/h1-2,6,11,15H,3-5H2
InChIKeyYFDLYYNEGSYPCW-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.17
Rot. Bonds2

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

oxolan-3-yl-(2,3,4-trifluorophenyl)methanol (PubChem CID 63893972) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is oxolan-3-yl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl-(2,3,4-trifluorophenyl)methanol
PubChem CID63893972
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Nameoxolan-3-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1F)C1CCOC1
InChIInChI=1S/C11H11F3O2/c12-8-2-1-7(9(13)10(8)14)11(15)6-3-4-16-5-6/h1-2,6,11,15H,3-5H2
InChIKeyYFDLYYNEGSYPCW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

oxan-4-yl-(2,3,4-trifluorophenyl)methanol
CID 63902199
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of oxolan-3-yl-(2,3,4-trifluorophenyl)methanol (CID 63893972) is oxolan-3-yl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for oxolan-3-yl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for oxolan-3-yl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(F)c(F)c1F)C1CCOC1.
What is the InChIKey of oxolan-3-yl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is YFDLYYNEGSYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-8-2-1-7(9(13)10(8)14)11(15)6-3-4-16-5-6/h1-2,6,11,15H,3-5H2.
What are the key properties of oxolan-3-yl-(2,3,4-trifluorophenyl)methanol?
oxolan-3-yl-(2,3,4-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-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 63893972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).