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

C11H20F2O — CID 59065159

IUPAC(2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane
SMILESC[C@@H]1[C@H](F)C[C@@H](CF)O[C@H]1C(C)(C)C
InChIInChI=1S/C11H20F2O/c1-7-9(13)5-8(6-12)14-10(7)11(2,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyCIJILLXDGNTYOI-UTINFBMNSA-N
MW206.28 g/mol
LogP3.13
Rot. Bonds1

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

(2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane (PubChem CID 59065159) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane.

Molecular Properties

Compound Name(2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane
PubChem CID59065159
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane
SMILESC[C@@H]1[C@H](F)C[C@@H](CF)O[C@H]1C(C)(C)C
InChIInChI=1S/C11H20F2O/c1-7-9(13)5-8(6-12)14-10(7)11(2,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1
InChIKeyCIJILLXDGNTYOI-UTINFBMNSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
2-Tert-butyloxane
CID 21482440
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
Difluorothromboxane
CID 129674200
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
(2S,5R)-2-tert-butyl-5-methyloxane
CID 90348358
2-Methyl-3-amyltetrahydropyran
CID 129789661
3-Methyl-6-propyltetrahydropyran
CID 129806384

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane?
The IUPAC name of (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane (CID 59065159) is (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane.
What is the SMILES notation for (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane?
The canonical SMILES for (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane is C[C@@H]1[C@H](F)C[C@@H](CF)O[C@H]1C(C)(C)C.
What is the InChIKey of (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane?
The InChIKey is CIJILLXDGNTYOI-UTINFBMNSA-N. The full InChI is InChI=1S/C11H20F2O/c1-7-9(13)5-8(6-12)14-10(7)11(2,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane?
(2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane has a molecular weight of 206.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)-3-methyloxane is sourced from PubChem (CID 59065159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).