[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol

C12H13F3O3 — CID 90074115

IUPAC[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-4,10-11,16H,5-7H2/t10-,11+/m0/s1
InChIKeyIYKLONJWMUMPTN-WDEREUQCSA-N
MW262.23 g/mol
LogP2.80
Rot. Bonds3

About [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol

[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol (PubChem CID 90074115) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol
PubChem CID90074115
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-4,10-11,16H,5-7H2/t10-,11+/m0/s1
InChIKeyIYKLONJWMUMPTN-WDEREUQCSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
CID 58555666
(4aR,6R,8aS)-2-(4-butoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102250030
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
6-chloro-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 58035098
5-methyl-6-[[(6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 90360657
5-methyl-6-[[(2S,6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 68514829
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
2-amino-3-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]-7-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 118053273
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
6-chloro-3-methoxy-5-methyl-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 88874080
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892
N-[4-oxo-3-[[(2S)-5-phenyloxolan-2-yl]methyl]-7-[4-(trifluoromethoxy)phenyl]quinazolin-2-yl]benzamide
CID 118052952

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol (CID 90074115) is [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol is OC[C@@H]1CC[C@H](c2ccc(OC(F)(F)F)cc2)O1.
What is the InChIKey of [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol?
The InChIKey is IYKLONJWMUMPTN-WDEREUQCSA-N. The full InChI is InChI=1S/C12H13F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-4,10-11,16H,5-7H2/t10-,11+/m0/s1.
What are the key properties of [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol?
[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol is sourced from PubChem (CID 90074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).