(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol

C8H10F6O2 — CID 59705892

IUPAC(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@@]1(C(F)(F)F)CCOC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H10F6O2/c1-5(7(9,10)11)2-3-16-6(15,4-5)8(12,13)14/h15H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyVGTKHWQQXXEFKI-LWOQYNTDSA-N
MW252.15 g/mol
LogP2.62
Rot. Bonds

About (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol

(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol (PubChem CID 59705892) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol
PubChem CID59705892
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@@]1(C(F)(F)F)CCOC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H10F6O2/c1-5(7(9,10)11)2-3-16-6(15,4-5)8(12,13)14/h15H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyVGTKHWQQXXEFKI-LWOQYNTDSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol (CID 59705892) is (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol is C[C@@]1(C(F)(F)F)CCOC(O)(C(F)(F)F)C1.
What is the InChIKey of (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol?
The InChIKey is VGTKHWQQXXEFKI-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-5(7(9,10)11)2-3-16-6(15,4-5)8(12,13)14/h15H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol?
(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol has a molecular weight of 252.15 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 59705892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).