(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane

C11H21FO — CID 14492060

IUPAC(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
SMILESCC(C)[C@@H]1CC(F)C[C@H](C(C)C)O1
InChIInChI=1S/C11H21FO/c1-7(2)10-5-9(12)6-11(13-10)8(3)4/h7-11H,5-6H2,1-4H3/t9?,10-,11+
InChIKeyWHOZYNKKHRSEJS-FGWVZKOKSA-N
MW188.29 g/mol
LogP3.18
Rot. Bonds2

About (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane

(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane (PubChem CID 14492060) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane.

Molecular Properties

Compound Name(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
PubChem CID14492060
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
SMILESCC(C)[C@@H]1CC(F)C[C@H](C(C)C)O1
InChIInChI=1S/C11H21FO/c1-7(2)10-5-9(12)6-11(13-10)8(3)4/h7-11H,5-6H2,1-4H3/t9?,10-,11+
InChIKeyWHOZYNKKHRSEJS-FGWVZKOKSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane?
The IUPAC name of (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane (CID 14492060) is (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane.
What is the SMILES notation for (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane?
The canonical SMILES for (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane is CC(C)[C@@H]1CC(F)C[C@H](C(C)C)O1.
What is the InChIKey of (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane?
The InChIKey is WHOZYNKKHRSEJS-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H21FO/c1-7(2)10-5-9(12)6-11(13-10)8(3)4/h7-11H,5-6H2,1-4H3/t9?,10-,11+.
What are the key properties of (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane?
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane has a molecular weight of 188.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane is sourced from PubChem (CID 14492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).