2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol

C12H12F4O2 — CID 171366647

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol
SMILESOC1(c2cc(C(F)(F)F)ccc2F)CCCCO1
InChIInChI=1S/C12H12F4O2/c13-10-4-3-8(12(14,15)16)7-9(10)11(17)5-1-2-6-18-11/h3-4,7,17H,1-2,5-6H2
InChIKeyMYGAXGFSMOUEHH-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.19
Rot. Bonds1

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol

2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol (PubChem CID 171366647) has the molecular formula C12H12F4O2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol
PubChem CID171366647
Molecular FormulaC12H12F4O2
Molecular Weight264.22 g/mol
Exact Mass264.08
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol
SMILESOC1(c2cc(C(F)(F)F)ccc2F)CCCCO1
InChIInChI=1S/C12H12F4O2/c13-10-4-3-8(12(14,15)16)7-9(10)11(17)5-1-2-6-18-11/h3-4,7,17H,1-2,5-6H2
InChIKeyMYGAXGFSMOUEHH-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol (CID 171366647) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol is OC1(c2cc(C(F)(F)F)ccc2F)CCCCO1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol?
The InChIKey is MYGAXGFSMOUEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O2/c13-10-4-3-8(12(14,15)16)7-9(10)11(17)5-1-2-6-18-11/h3-4,7,17H,1-2,5-6H2.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol?
2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol has a molecular weight of 264.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]oxan-2-ol is sourced from PubChem (CID 171366647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).