9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene

C26H22F2 — CID 174639640

IUPAC9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
SMILESFc1ccc(CCC2Cc3c(ccc4c3CCC=C4)-c3cc(F)ccc32)cc1
InChIInChI=1S/C26H22F2/c27-20-10-6-17(7-11-20)5-8-19-15-25-22-4-2-1-3-18(22)9-13-24(25)26-16-21(28)12-14-23(19)26/h1,3,6-7,9-14,16,19H,2,4-5,8,15H2
InChIKeyBWZOHJQMJSYKQZ-UHFFFAOYSA-N
MW372.46 g/mol
LogP6.86
Rot. Bonds3

About 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene

9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene (PubChem CID 174639640) has the molecular formula C26H22F2 and a molecular weight of 372.46 g/mol. Its IUPAC name is 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
PubChem CID174639640
Molecular FormulaC26H22F2
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
SMILESFc1ccc(CCC2Cc3c(ccc4c3CCC=C4)-c3cc(F)ccc32)cc1
InChIInChI=1S/C26H22F2/c27-20-10-6-17(7-11-20)5-8-19-15-25-22-4-2-1-3-18(22)9-13-24(25)26-16-21(28)12-14-23(19)26/h1,3,6-7,9-14,16,19H,2,4-5,8,15H2
InChIKeyBWZOHJQMJSYKQZ-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-6-[2-(9-methyl-3,4,5,6-tetrahydrochrysen-6-yl)ethyl]pyridazine
CID 174639624
2-azabicyclo[3.2.2]nona-1(7),3,5-triene;2-[(9-fluoro-3,4,5,6-tetrahydrochrysen-6-yl)methyl]pyridine
CID 174639652
7-fluoro-3,4,5,6-tetrahydrochrysene
CID 174264510
4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 82505065
2-ethyl-6-fluoro-9H-fluoren-9-amine
CID 91046911
5-[2-(4-fluorophenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide
CID 10046333
6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
CID 174821634
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306
(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
CID 23635452
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
4-ethyl-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 82125678
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene?
The IUPAC name of 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene (CID 174639640) is 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene.
What is the SMILES notation for 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene?
The canonical SMILES for 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene is Fc1ccc(CCC2Cc3c(ccc4c3CCC=C4)-c3cc(F)ccc32)cc1.
What is the InChIKey of 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene?
The InChIKey is BWZOHJQMJSYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2/c27-20-10-6-17(7-11-20)5-8-19-15-25-22-4-2-1-3-18(22)9-13-24(25)26-16-21(28)12-14-23(19)26/h1,3,6-7,9-14,16,19H,2,4-5,8,15H2.
What are the key properties of 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene?
9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene has a molecular weight of 372.46 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene is sourced from PubChem (CID 174639640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).