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

C15H21FO — CID 71170229

IUPAC7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=C(F)C2=C(CC1)C1OCC(C)CC1CC2
InChIInChI=1S/C15H21FO/c1-9-7-11-4-6-12-13(15(11)17-8-9)5-3-10(2)14(12)16/h9,11,15H,3-8H2,1-2H3
InChIKeySXYNFKNXNIWZHZ-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.16
Rot. Bonds

About 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (PubChem CID 71170229) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.

Molecular Properties

Compound Name7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
PubChem CID71170229
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=C(F)C2=C(CC1)C1OCC(C)CC1CC2
InChIInChI=1S/C15H21FO/c1-9-7-11-4-6-12-13(15(11)17-8-9)5-3-10(2)14(12)16/h9,11,15H,3-8H2,1-2H3
InChIKeySXYNFKNXNIWZHZ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The IUPAC name of 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (CID 71170229) is 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.
What is the SMILES notation for 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The canonical SMILES for 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is CC1=C(F)C2=C(CC1)C1OCC(C)CC1CC2.
What is the InChIKey of 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The InChIKey is SXYNFKNXNIWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-9-7-11-4-6-12-13(15(11)17-8-9)5-3-10(2)14(12)16/h9,11,15H,3-8H2,1-2H3.
What are the key properties of 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
7-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 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is sourced from PubChem (CID 71170229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).