[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol

C12H12F4O2 — CID 123937249

IUPAC[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol
SMILESOCC1CC(F)C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F4O2/c13-10-5-9(6-17)18-11(10)7-1-3-8(4-2-7)12(14,15)16/h1-4,9-11,17H,5-6H2
InChIKeyHJRQUSHIRMCWFX-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.87
Rot. Bonds2

About [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol

[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol (PubChem CID 123937249) has the molecular formula C12H12F4O2 and a molecular weight of 264.22 g/mol. Its IUPAC name is [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol
PubChem CID123937249
Molecular FormulaC12H12F4O2
Molecular Weight264.22 g/mol
Exact Mass264.08
IUPAC Name[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol
SMILESOCC1CC(F)C(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F4O2/c13-10-5-9(6-17)18-11(10)7-1-3-8(4-2-7)12(14,15)16/h1-4,9-11,17H,5-6H2
InChIKeyHJRQUSHIRMCWFX-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062
[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxan-2-yl]methanol
CID 125455976
[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
CID 171373474
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306
4-[(2S)-2-(hydroxymethyl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
CID 143454430
3-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]oxane
CID 79373159
(2S,4R)-2-(iodomethyl)-4-[4-(trifluoromethyl)phenyl]oxolane
CID 125456778
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
4-[(2S,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]benzonitrile
CID 11185356
2-[(2S,5R,6S)-5-(cyclopentylmethylamino)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]acetic acid
CID 71009058
[(5R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol
CID 143069925

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol?
The IUPAC name of [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol (CID 123937249) is [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol.
What is the SMILES notation for [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol?
The canonical SMILES for [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol is OCC1CC(F)C(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol?
The InChIKey is HJRQUSHIRMCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O2/c13-10-5-9(6-17)18-11(10)7-1-3-8(4-2-7)12(14,15)16/h1-4,9-11,17H,5-6H2.
What are the key properties of [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol?
[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol has a molecular weight of 264.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol is sourced from PubChem (CID 123937249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).