(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol

C7H11F3O2 — CID 59705891

IUPAC(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CCOC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2/c1-5-2-3-12-6(11,4-5)7(8,9)10/h5,11H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyZLFPZPTWFWGXAY-ZBHICJROSA-N
MW184.16 g/mol
LogP1.68
Rot. Bonds

About (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol

(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 59705891) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID59705891
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CCOC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2/c1-5-2-3-12-6(11,4-5)7(8,9)10/h5,11H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyZLFPZPTWFWGXAY-ZBHICJROSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-(3-methylbutyl)-2-(trifluoromethyl)oxan-2-ol
CID 134993246
2-(Trifluoromethyl)oxan-2-ol
CID 11159565
3,3,5,5-Tetrafluoro-4-(2-methylbutoxy)-2-(trifluoromethyl)oxan-2-ol
CID 57676606
3,3-Difluoro-4-(2-methylbutoxy)-2-(trifluoromethyl)oxan-2-ol
CID 57676694
4-Ethyl-3,3-difluoro-2,6-bis(trifluoromethyl)oxane-2,4-diol
CID 57846089
3,3-Difluoro-4-methyl-2,6-bis(trifluoromethyl)oxane-2,4-diol
CID 57846135
(4S)-3,3,5,5-tetrafluoro-4-methyl-2,6-bis(trifluoromethyl)oxan-2-ol
CID 59705846
(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705858
(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705875
(4R)-4-methyl-2,4-bis(trifluoromethyl)oxan-2-ol
CID 59705892
4,4-Dimethyl-2-(trifluoromethyl)oxan-2-ol
CID 59705893
3-Methyl-2-(trifluoromethyl)oxan-2-ol
CID 66792645

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol (CID 59705891) is (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol is C[C@H]1CCOC(O)(C(F)(F)F)C1.
What is the InChIKey of (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is ZLFPZPTWFWGXAY-ZBHICJROSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5-2-3-12-6(11,4-5)7(8,9)10/h5,11H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol?
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 184.16 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 59705891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).