8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran

C14H19FO — CID 71170245

IUPAC8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
SMILESCC1=CC2=C(CC1F)C1OCC(C)CC1C2
InChIInChI=1S/C14H19FO/c1-8-3-11-5-10-4-9(2)13(15)6-12(10)14(11)16-7-8/h4,8,11,13-14H,3,5-7H2,1-2H3
InChIKeyPGRSAVSBNSPZOF-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.42
Rot. Bonds

About 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran

8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran (PubChem CID 71170245) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran.

Molecular Properties

Compound Name8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
PubChem CID71170245
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
SMILESCC1=CC2=C(CC1F)C1OCC(C)CC1C2
InChIInChI=1S/C14H19FO/c1-8-3-11-5-10-4-9(2)13(15)6-12(10)14(11)16-7-8/h4,8,11,13-14H,3,5-7H2,1-2H3
InChIKeyPGRSAVSBNSPZOF-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran with MolForge

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Related Compounds

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CID 100982633
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
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CID 138401795
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
CID 54054039
7,8-difluoro-2,6-dimethyl-3,4,4a,8a-tetrahydro-2H-chromene
CID 58234123
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
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1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170229
6-Fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
CID 71170243
(9R)-8-fluoro-9-(8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
CID 71170244

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The IUPAC name of 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran (CID 71170245) is 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran.
What is the SMILES notation for 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The canonical SMILES for 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran is CC1=CC2=C(CC1F)C1OCC(C)CC1C2.
What is the InChIKey of 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The InChIKey is PGRSAVSBNSPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-8-3-11-5-10-4-9(2)13(15)6-12(10)14(11)16-7-8/h4,8,11,13-14H,3,5-7H2,1-2H3.
What are the key properties of 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran has a molecular weight of 222.30 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran is sourced from PubChem (CID 71170245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).