(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol

C10H18F2O2 — CID 59065131

IUPAC(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)C[C@@H](F)[C@H]1O
InChIInChI=1S/C10H18F2O2/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,13H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyQGXKLGAJDBENFY-JQCXWYLXSA-N
MW208.25 g/mol
LogP1.86
Rot. Bonds1

About (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol

(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol (PubChem CID 59065131) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
PubChem CID59065131
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
SMILESCC(C)(C)[C@@H]1O[C@H](CF)C[C@@H](F)[C@H]1O
InChIInChI=1S/C10H18F2O2/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,13H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyQGXKLGAJDBENFY-JQCXWYLXSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol?
The IUPAC name of (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol (CID 59065131) is (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol.
What is the SMILES notation for (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol?
The canonical SMILES for (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol is CC(C)(C)[C@@H]1O[C@H](CF)C[C@@H](F)[C@H]1O.
What is the InChIKey of (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol?
The InChIKey is QGXKLGAJDBENFY-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,13H,4-5H2,1-3H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol?
(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol has a molecular weight of 208.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol is sourced from PubChem (CID 59065131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).