8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene

C19H16ClF — CID 175252158

IUPAC8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3
InChIInChI=1S/C19H16ClF/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10H,2-4,7H2,1H3
InChIKeyYMWUIDCEVBFLNR-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.61
Rot. Bonds

About 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene

8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene (PubChem CID 175252158) has the molecular formula C19H16ClF and a molecular weight of 298.79 g/mol. Its IUPAC name is 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
PubChem CID175252158
Molecular FormulaC19H16ClF
Molecular Weight298.79 g/mol
Exact Mass298.09
IUPAC Name8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
SMILESCC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3
InChIInChI=1S/C19H16ClF/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10H,2-4,7H2,1H3
InChIKeyYMWUIDCEVBFLNR-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
CID 174532842
8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174532849
2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
CID 174532858
8-bromo-1-methyl-7-propan-2-yloxy-2,3,4,5-tetrahydrochrysene
CID 174546861
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
8-bromo-1-methyl-7-prop-2-enoxy-2,3,4,5-tetrahydrochrysene
CID 175253719
7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785
(7-chloro-2,3,4,5-tetrahydrochrysen-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 174314463
1H-3-benzazepine;8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546961
(4-amino-2-methylphenyl)-(7-chloro-2,3,4,5-tetrahydrochrysen-1-yl)methanone;1H-1-benzazepine
CID 174360514
1H-3-benzazepine;7-(3-methoxyphenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546805
8,9-dichloro-2,3,4,5-tetrahydrochrysene
CID 174698795

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene (CID 175252158) is 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene is CC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3.
What is the InChIKey of 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is YMWUIDCEVBFLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene?
8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 298.79 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 175252158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).