8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene

C20H19F — CID 174400514

IUPAC8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene
SMILESCc1cc2c3c(ccc2c2ccc(F)cc12)CCCC3C
InChIInChI=1S/C20H19F/c1-12-4-3-5-14-6-8-17-16-9-7-15(21)11-18(16)13(2)10-19(17)20(12)14/h6-12H,3-5H2,1-2H3
InChIKeyBYPCMTXCGYITPI-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.88
Rot. Bonds

About 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene

8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174400514) has the molecular formula C20H19F and a molecular weight of 278.37 g/mol. Its IUPAC name is 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene
PubChem CID174400514
Molecular FormulaC20H19F
Molecular Weight278.37 g/mol
Exact Mass278.15
IUPAC Name8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene
SMILESCc1cc2c3c(ccc2c2ccc(F)cc12)CCCC3C
InChIInChI=1S/C20H19F/c1-12-4-3-5-14-6-8-17-16-9-7-15(21)11-18(16)13(2)10-19(17)20(12)14/h6-12H,3-5H2,1-2H3
InChIKeyBYPCMTXCGYITPI-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174412192
(4R)-8-bromo-4,7-dimethyl-1,2,3,4-tetrahydrochrysene
CID 174417873
(4R)-4,7-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174401157
(4R)-4,8-dimethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174412915
4-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174400192
4-fluoro-8-methyltetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,11-hexaene
CID 135038311
1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 156843578
2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68863953
4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
CID 174660001
2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
CID 142010079
4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
CID 175322734
3,6-difluoro-1-methylnaphthalene
CID 138605249

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene (CID 174400514) is 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene is Cc1cc2c3c(ccc2c2ccc(F)cc12)CCCC3C.
What is the InChIKey of 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is BYPCMTXCGYITPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F/c1-12-4-3-5-14-6-8-17-16-9-7-15(21)11-18(16)13(2)10-19(17)20(12)14/h6-12H,3-5H2,1-2H3.
What are the key properties of 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene?
8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 278.37 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174400514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).