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

C20H18ClF — CID 174532842

IUPAC8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
SMILESCCC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3
InChIInChI=1S/C20H18ClF/c1-2-12-4-3-5-14-13(12)6-7-16-15(14)8-9-18-17(16)10-11-19(21)20(18)22/h6-7,9-11H,2-5,8H2,1H3
InChIKeyYARYCGXOSCZCFE-UHFFFAOYSA-N
MW312.82 g/mol
LogP4.00
Rot. Bonds1

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

8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene (PubChem CID 174532842) has the molecular formula C20H18ClF and a molecular weight of 312.82 g/mol. Its IUPAC name is 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
PubChem CID174532842
Molecular FormulaC20H18ClF
Molecular Weight312.82 g/mol
Exact Mass312.11
IUPAC Name8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
SMILESCCC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3
InChIInChI=1S/C20H18ClF/c1-2-12-4-3-5-14-13(12)6-7-16-15(14)8-9-18-17(16)10-11-19(21)20(18)22/h6-7,9-11H,2-5,8H2,1H3
InChIKeyYARYCGXOSCZCFE-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 175252158
7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785
2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
CID 174532858
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
(4-amino-2-methylphenyl)-(7-chloro-2,3,4,5-tetrahydrochrysen-1-yl)methanone;1H-1-benzazepine
CID 174360514
1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
CID 174367216
4-chloro-2-ethyl-3-fluoroaniline
CID 134444327
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene
CID 156857558
bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
2-tert-butyl-1-chloro-4-ethyl-3-fluorobenzene
CID 138536144

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene (CID 174532842) is 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene is CCC1=c2ccc3c(c2CCC1)CC=c1c(F)c(Cl)ccc1=3.
What is the InChIKey of 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene?
The InChIKey is YARYCGXOSCZCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF/c1-2-12-4-3-5-14-13(12)6-7-16-15(14)8-9-18-17(16)10-11-19(21)20(18)22/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene?
8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene has a molecular weight of 312.82 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174532842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).