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

C16H23FO — CID 57068014

IUPAC(5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCC[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C16H23FO/c1-5-6-7-12-8-9-13(17)15-14(12)11(2)10-16(3,4)18-15/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1
InChIKeySDQSXPRHYNZMBW-GFCCVEGCSA-N
MW250.36 g/mol
LogP5.06
Rot. Bonds3

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

(5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene (PubChem CID 57068014) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene
PubChem CID57068014
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name(5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene
SMILESCCCC[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C16H23FO/c1-5-6-7-12-8-9-13(17)15-14(12)11(2)10-16(3,4)18-15/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1
InChIKeySDQSXPRHYNZMBW-GFCCVEGCSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene (CID 57068014) is (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene is CCCC[C@@H]1CC=C(F)C2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene?
The InChIKey is SDQSXPRHYNZMBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FO/c1-5-6-7-12-8-9-13(17)15-14(12)11(2)10-16(3,4)18-15/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene?
(5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene has a molecular weight of 250.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromene is sourced from PubChem (CID 57068014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).