9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

C15H21FO — CID 71170261

IUPAC9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(CC1F)C1OCC(C)CC1CC2
InChIInChI=1S/C15H21FO/c1-9-5-12-4-3-11-6-10(2)14(16)7-13(11)15(12)17-8-9/h6,9,12,14-15H,3-5,7-8H2,1-2H3
InChIKeyUCKDQEPBUBQCGG-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.81
Rot. Bonds

About 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (PubChem CID 71170261) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.

Molecular Properties

Compound Name9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
PubChem CID71170261
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(CC1F)C1OCC(C)CC1CC2
InChIInChI=1S/C15H21FO/c1-9-5-12-4-3-11-6-10(2)14(16)7-13(11)15(12)17-8-9/h6,9,12,14-15H,3-5,7-8H2,1-2H3
InChIKeyUCKDQEPBUBQCGG-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The IUPAC name of 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (CID 71170261) is 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.
What is the SMILES notation for 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The canonical SMILES for 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is CC1=CC2=C(CC1F)C1OCC(C)CC1CC2.
What is the InChIKey of 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The InChIKey is UCKDQEPBUBQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-9-5-12-4-3-11-6-10(2)14(16)7-13(11)15(12)17-8-9/h6,9,12,14-15H,3-5,7-8H2,1-2H3.
What are the key properties of 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene has a molecular weight of 236.33 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is sourced from PubChem (CID 71170261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).