8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene

C19H17F — CID 174532849

IUPAC8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1cc(F)ccc1=3
InChIInChI=1S/C19H17F/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h5-6,8-11H,2-4,7H2,1H3
InChIKeyQYGJDDZRXKXEDS-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.96
Rot. Bonds

About 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene

8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene (PubChem CID 174532849) has the molecular formula C19H17F and a molecular weight of 264.34 g/mol. Its IUPAC name is 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
PubChem CID174532849
Molecular FormulaC19H17F
Molecular Weight264.34 g/mol
Exact Mass264.13
IUPAC Name8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1cc(F)ccc1=3
InChIInChI=1S/C19H17F/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h5-6,8-11H,2-4,7H2,1H3
InChIKeyQYGJDDZRXKXEDS-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 175252158
2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
CID 174532858
1H-3-benzazepine;8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546961
bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
CID 174367216
8-bromo-1-methyl-7-propan-2-yloxy-2,3,4,5-tetrahydrochrysene
CID 174546861
8,9-dichloro-2,3,4,5-tetrahydrochrysene
CID 174698795
8-bromo-1-methyl-7-prop-2-enoxy-2,3,4,5-tetrahydrochrysene
CID 175253719
8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
CID 174532842
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
[2-methyl-4-(2-methylanilino)phenyl]-(2,3,4,5-tetrahydrochrysen-1-yl)methanone
CID 174326576

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene (CID 174532849) is 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene is CC1=c2ccc3c(c2CCC1)CC=c1cc(F)ccc1=3.
What is the InChIKey of 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is QYGJDDZRXKXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F/c1-12-3-2-4-17-15(12)9-10-18-16-8-6-14(20)11-13(16)5-7-19(17)18/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 264.34 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174532849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).