(4R,5R)-5-fluoro-2,2,4-trimethyloxane

C8H15FO — CID 178006213

IUPAC(4R,5R)-5-fluoro-2,2,4-trimethyloxane
SMILESC[C@@H]1CC(C)(C)OC[C@@H]1F
InChIInChI=1S/C8H15FO/c1-6-4-8(2,3)10-5-7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyPRZXFTQMDPVRBK-RQJHMYQMSA-N
MW146.20 g/mol
LogP2.16
Rot. Bonds

About (4R,5R)-5-fluoro-2,2,4-trimethyloxane

(4R,5R)-5-fluoro-2,2,4-trimethyloxane (PubChem CID 178006213) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is (4R,5R)-5-fluoro-2,2,4-trimethyloxane.

Molecular Properties

Compound Name(4R,5R)-5-fluoro-2,2,4-trimethyloxane
PubChem CID178006213
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name(4R,5R)-5-fluoro-2,2,4-trimethyloxane
SMILESC[C@@H]1CC(C)(C)OC[C@@H]1F
InChIInChI=1S/C8H15FO/c1-6-4-8(2,3)10-5-7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyPRZXFTQMDPVRBK-RQJHMYQMSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-fluoro-2,2,4-trimethyloxane?
The IUPAC name of (4R,5R)-5-fluoro-2,2,4-trimethyloxane (CID 178006213) is (4R,5R)-5-fluoro-2,2,4-trimethyloxane.
What is the SMILES notation for (4R,5R)-5-fluoro-2,2,4-trimethyloxane?
The canonical SMILES for (4R,5R)-5-fluoro-2,2,4-trimethyloxane is C[C@@H]1CC(C)(C)OC[C@@H]1F.
What is the InChIKey of (4R,5R)-5-fluoro-2,2,4-trimethyloxane?
The InChIKey is PRZXFTQMDPVRBK-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15FO/c1-6-4-8(2,3)10-5-7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (4R,5R)-5-fluoro-2,2,4-trimethyloxane?
(4R,5R)-5-fluoro-2,2,4-trimethyloxane has a molecular weight of 146.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-fluoro-2,2,4-trimethyloxane is sourced from PubChem (CID 178006213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).