(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane

C11H21FO — CID 157132064

IUPAC(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane
SMILESC[C@H]1[C@@H](F)[C@H](C)O[C@@H]1CC(C)(C)C
InChIInChI=1S/C11H21FO/c1-7-9(6-11(3,4)5)13-8(2)10(7)12/h7-10H,6H2,1-5H3/t7-,8+,9-,10-/m1/s1
InChIKeyMACVRQPZBMJRHO-UTINFBMNSA-N
MW188.29 g/mol
LogP3.18
Rot. Bonds1

About (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane

(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane (PubChem CID 157132064) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane
PubChem CID157132064
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane
SMILESC[C@H]1[C@@H](F)[C@H](C)O[C@@H]1CC(C)(C)C
InChIInChI=1S/C11H21FO/c1-7-9(6-11(3,4)5)13-8(2)10(7)12/h7-10H,6H2,1-5H3/t7-,8+,9-,10-/m1/s1
InChIKeyMACVRQPZBMJRHO-UTINFBMNSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetradecahydrocyclododeca[b]furan
CID 14687820
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
2-tert-Butyl-5-methyl-2-propyltetrahydrofuran
CID 11658402
3-Octyloxolane
CID 85711919
2-Isoamyltetrahydrofuran
CID 12508223
alpha-Isobutyltetrahydrofuran
CID 14242113
2-n-Propyl-3-methyl-tetrahydrofuran
CID 18965607
a-(2,2-Dimethylpropyl)tetrahydrofuran
CID 21304846
a-(2-Methylbutyl)tetrahydrofuran
CID 53654831
Tetrahydro-2,3-dimethyl-5-propylfuran
CID 59089354
3-Butyltetrahydro-2-methylfuran (trans)
CID 37514
14-Methyl-13-oxabicyclo[10.3.0]pentadecane
CID 11085454

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane?
The IUPAC name of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane (CID 157132064) is (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane.
What is the SMILES notation for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane?
The canonical SMILES for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane is C[C@H]1[C@@H](F)[C@H](C)O[C@@H]1CC(C)(C)C.
What is the InChIKey of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane?
The InChIKey is MACVRQPZBMJRHO-UTINFBMNSA-N. The full InChI is InChI=1S/C11H21FO/c1-7-9(6-11(3,4)5)13-8(2)10(7)12/h7-10H,6H2,1-5H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane?
(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane has a molecular weight of 188.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane is sourced from PubChem (CID 157132064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).