4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene

C22H20F2 — CID 18984130

IUPAC4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
SMILESCCc1ccc(CCc2ccc(-c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C22H20F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h3-6,9-15H,2,7-8H2,1H3
InChIKeyKVTJEPNHVXBIHR-UHFFFAOYSA-N
MW322.40 g/mol
LogP5.98
Rot. Bonds5

About 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene

4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene (PubChem CID 18984130) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
PubChem CID18984130
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
SMILESCCc1ccc(CCc2ccc(-c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C22H20F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h3-6,9-15H,2,7-8H2,1H3
InChIKeyKVTJEPNHVXBIHR-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 158516829
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798792
1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54556893
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
CID 54186156

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene (CID 18984130) is 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene is CCc1ccc(CCc2ccc(-c3ccc(F)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene?
The InChIKey is KVTJEPNHVXBIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h3-6,9-15H,2,7-8H2,1H3.
What are the key properties of 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene?
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene has a molecular weight of 322.40 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene is sourced from PubChem (CID 18984130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).