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

C7H7F7O2 — CID 59705858

IUPAC(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1C(F)(F)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H7F7O2/c1-3-4(8,9)2-16-6(15,5(3,10)11)7(12,13)14/h3,15H,2H2,1H3/t3-,6?/m0/s1
InChIKeyLAMDWNXXXZAANB-FWRGRRDFSA-N
MW256.12 g/mol
LogP2.17
Rot. Bonds

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

(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol (PubChem CID 59705858) has the molecular formula C7H7F7O2 and a molecular weight of 256.12 g/mol. Its IUPAC name is (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
PubChem CID59705858
Molecular FormulaC7H7F7O2
Molecular Weight256.12 g/mol
Exact Mass256.03
IUPAC Name(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol
SMILESC[C@H]1C(F)(F)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H7F7O2/c1-3-4(8,9)2-16-6(15,5(3,10)11)7(12,13)14/h3,15H,2H2,1H3/t3-,6?/m0/s1
InChIKeyLAMDWNXXXZAANB-FWRGRRDFSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.17
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-(trifluoromethyl)oxan-2-ol?
The IUPAC name of (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol (CID 59705858) is (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol is C[C@H]1C(F)(F)COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
The InChIKey is LAMDWNXXXZAANB-FWRGRRDFSA-N. The full InChI is InChI=1S/C7H7F7O2/c1-3-4(8,9)2-16-6(15,5(3,10)11)7(12,13)14/h3,15H,2H2,1H3/t3-,6?/m0/s1.
What are the key properties of (4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol?
(4S)-3,3,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)oxan-2-ol has a molecular weight of 256.12 g/mol, XLogP of 2.17, 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-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 59705858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).