(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene

C13H17FO2 — CID 57051616

IUPAC(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCO[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C13H17FO2/c1-8-7-13(2,3)16-12-9(14)5-6-10(15-4)11(8)12/h5,7,10H,6H2,1-4H3/t10-/m1/s1
InChIKeyVPDVMBSXWCMVIZ-SNVBAGLBSA-N
MW224.27 g/mol
LogP3.27
Rot. Bonds1

About (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene

(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene (PubChem CID 57051616) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
PubChem CID57051616
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCO[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C13H17FO2/c1-8-7-13(2,3)16-12-9(14)5-6-10(15-4)11(8)12/h5,7,10H,6H2,1-4H3/t10-/m1/s1
InChIKeyVPDVMBSXWCMVIZ-SNVBAGLBSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene (CID 57051616) is (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene is CO[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
The InChIKey is VPDVMBSXWCMVIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8-7-13(2,3)16-12-9(14)5-6-10(15-4)11(8)12/h5,7,10H,6H2,1-4H3/t10-/m1/s1.
What are the key properties of (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene?
(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene has a molecular weight of 224.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene is sourced from PubChem (CID 57051616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).