[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol

C7H11F3O2 — CID 142441455

IUPAC[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol
SMILESOC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyGJNCNBFWDIRUIF-PHDIDXHHSA-N
MW184.16 g/mol
LogP1.34
Rot. Bonds1

About [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol

[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol (PubChem CID 142441455) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol
PubChem CID142441455
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol
SMILESOC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyGJNCNBFWDIRUIF-PHDIDXHHSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R,6R)-6-(trifluoromethyl)oxan-3-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

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol?
The IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol (CID 142441455) is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol.
What is the SMILES notation for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol?
The canonical SMILES for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol is OC[C@H]1CC[C@H](C(F)(F)F)OC1.
What is the InChIKey of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol?
The InChIKey is GJNCNBFWDIRUIF-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6,11H,1-4H2/t5-,6-/m1/s1.
What are the key properties of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol?
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol has a molecular weight of 184.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol is sourced from PubChem (CID 142441455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).