(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane

C13H12F6O — CID 102340222

IUPAC(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
SMILESC[C@@H]1CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H12F6O/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11H,2-3H2,1H3/t7-,11-/m1/s1
InChIKeyNGJYGUAEEZKIRI-RDDDGLTNSA-N
MW298.23 g/mol
LogP4.96
Rot. Bonds1

About (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane

(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane (PubChem CID 102340222) has the molecular formula C13H12F6O and a molecular weight of 298.23 g/mol. Its IUPAC name is (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane.

Molecular Properties

Compound Name(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
PubChem CID102340222
Molecular FormulaC13H12F6O
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC Name(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
SMILESC[C@@H]1CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H12F6O/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11H,2-3H2,1H3/t7-,11-/m1/s1
InChIKeyNGJYGUAEEZKIRI-RDDDGLTNSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane 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

(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455819
2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
CID 144649311
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)aniline
CID 124634393
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)aniline
CID 124634394
6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
CID 115351325
3-[5-[3-methoxy-5-(trifluoromethyl)phenyl]oxolan-2-yl]propanoic acid
CID 58466052
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964
3-cyclopentyl-5-[(2R,5R)-5-methyloxolan-2-yl]-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 167912604
5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 123451604
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane?
The IUPAC name of (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane (CID 102340222) is (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane.
What is the SMILES notation for (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane?
The canonical SMILES for (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane is C[C@@H]1CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1.
What is the InChIKey of (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane?
The InChIKey is NGJYGUAEEZKIRI-RDDDGLTNSA-N. The full InChI is InChI=1S/C13H12F6O/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11H,2-3H2,1H3/t7-,11-/m1/s1.
What are the key properties of (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane?
(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane has a molecular weight of 298.23 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane is sourced from PubChem (CID 102340222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).