(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol

C7H9F5O2 — CID 59705875

IUPAC(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CCOC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H9F5O2/c1-4-2-3-14-6(13,5(4,8)9)7(10,11)12/h4,13H,2-3H2,1H3/t4-,6?/m0/s1
InChIKeySATBRHJSZGECIH-VKZKZBKNSA-N
MW220.14 g/mol
LogP1.93
Rot. Bonds

About (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol

(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 59705875) has the molecular formula C7H9F5O2 and a molecular weight of 220.14 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID59705875
Molecular FormulaC7H9F5O2
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Name(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1CCOC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H9F5O2/c1-4-2-3-14-6(13,5(4,8)9)7(10,11)12/h4,13H,2-3H2,1H3/t4-,6?/m0/s1
InChIKeySATBRHJSZGECIH-VKZKZBKNSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol 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 (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol (CID 59705875) is (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol is C[C@H]1CCOC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is SATBRHJSZGECIH-VKZKZBKNSA-N. The full InChI is InChI=1S/C7H9F5O2/c1-4-2-3-14-6(13,5(4,8)9)7(10,11)12/h4,13H,2-3H2,1H3/t4-,6?/m0/s1.
What are the key properties of (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
(4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 220.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 59705875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).