(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol

C9H12F6O2 — CID 118234295

IUPAC(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CC(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-3-6(2,8(10,11)12)17-7(16,4-5)9(13,14)15/h5,16H,3-4H2,1-2H3/t5-,6?,7?/m0/s1
InChIKeyZVZMVXPESWIGGT-VTSJMVTISA-N
MW266.18 g/mol
LogP3.00
Rot. Bonds

About (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol

(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol (PubChem CID 118234295) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
PubChem CID118234295
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CC(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-3-6(2,8(10,11)12)17-7(16,4-5)9(13,14)15/h5,16H,3-4H2,1-2H3/t5-,6?,7?/m0/s1
InChIKeyZVZMVXPESWIGGT-VTSJMVTISA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol (CID 118234295) is (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol is C[C@H]1CC(C)(C(F)(F)F)OC(O)(C(F)(F)F)C1.
What is the InChIKey of (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol?
The InChIKey is ZVZMVXPESWIGGT-VTSJMVTISA-N. The full InChI is InChI=1S/C9H12F6O2/c1-5-3-6(2,8(10,11)12)17-7(16,4-5)9(13,14)15/h5,16H,3-4H2,1-2H3/t5-,6?,7?/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol?
(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol has a molecular weight of 266.18 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 118234295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).