2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene

C22H18ClF — CID 139883517

IUPAC2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)c(F)c3)ccc1-2
InChIInChI=1S/C22H18ClF/c1-2-14-3-8-19-17(11-14)4-5-18-12-15(6-9-20(18)19)16-7-10-21(23)22(24)13-16/h3,6-13H,2,4-5H2,1H3
InChIKeyFWZXZLPNNHSKGY-UHFFFAOYSA-N
MW336.84 g/mol
LogP6.47
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene

2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene (PubChem CID 139883517) has the molecular formula C22H18ClF and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
PubChem CID139883517
Molecular FormulaC22H18ClF
Molecular Weight336.84 g/mol
Exact Mass336.11
IUPAC Name2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)c(F)c3)ccc1-2
InChIInChI=1S/C22H18ClF/c1-2-14-3-8-19-17(11-14)4-5-18-12-15(6-9-20(18)19)16-7-10-21(23)22(24)13-16/h3,6-13H,2,4-5H2,1H3
InChIKeyFWZXZLPNNHSKGY-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
CID 139883642
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine
CID 20708859
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883969
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883992
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
4-(7-ethyl-1,3-difluoro-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045451

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene (CID 139883517) is 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene is CCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)c(F)c3)ccc1-2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene?
The InChIKey is FWZXZLPNNHSKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF/c1-2-14-3-8-19-17(11-14)4-5-18-12-15(6-9-20(18)19)16-7-10-21(23)22(24)13-16/h3,6-13H,2,4-5H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene?
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene has a molecular weight of 336.84 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene is sourced from PubChem (CID 139883517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).