(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol

C8H6F10O2 — CID 59705846

IUPAC(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1C(F)(F)C(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H6F10O2/c1-2-4(9,10)3(6(13,14)15)20-7(19,5(2,11)12)8(16,17)18/h2-3,19H,1H3/t2-,3?,7?/m0/s1
InChIKeyZMHCVQWTLXQJLO-SFKFVQLGSA-N
MW324.11 g/mol
LogP3.11
Rot. Bonds

About (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol

(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol (PubChem CID 59705846) has the molecular formula C8H6F10O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol
PubChem CID59705846
Molecular FormulaC8H6F10O2
Molecular Weight324.11 g/mol
Exact Mass324.02
IUPAC Name(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1C(F)(F)C(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H6F10O2/c1-2-4(9,10)3(6(13,14)15)20-7(19,5(2,11)12)8(16,17)18/h2-3,19H,1H3/t2-,3?,7?/m0/s1
InChIKeyZMHCVQWTLXQJLO-SFKFVQLGSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol (CID 59705846) is (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol is C[C@H]1C(F)(F)C(C(F)(F)F)OC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The InChIKey is ZMHCVQWTLXQJLO-SFKFVQLGSA-N. The full InChI is InChI=1S/C8H6F10O2/c1-2-4(9,10)3(6(13,14)15)20-7(19,5(2,11)12)8(16,17)18/h2-3,19H,1H3/t2-,3?,7?/m0/s1.
What are the key properties of (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol?
(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol has a molecular weight of 324.11 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 59705846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).