(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol

C11H20F2O2 — CID 59065128

IUPAC(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1F
InChIInChI=1S/C11H20F2O2/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyMRLWMRXXPVCPOW-SQXHDICFSA-N
MW222.27 g/mol
LogP2.10
Rot. Bonds1

About (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol

(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol (PubChem CID 59065128) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
PubChem CID59065128
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1F
InChIInChI=1S/C11H20F2O2/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyMRLWMRXXPVCPOW-SQXHDICFSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol (CID 59065128) is (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol is C[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CF)[C@H]1F.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol?
The InChIKey is MRLWMRXXPVCPOW-SQXHDICFSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-6-8(13)7(5-12)15-10(9(6)14)11(2,3)4/h6-10,14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol?
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol has a molecular weight of 222.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol is sourced from PubChem (CID 59065128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).