2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene

C23H20F4 — CID 18513408

IUPAC2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-12-21(26)23(22(27)13-17)18-10-11-19(24)20(25)14-18/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyAGKIWBCIKVSWGA-UHFFFAOYSA-N
MW372.41 g/mol
LogP6.65
Rot. Bonds6

About 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 18513408) has the molecular formula C23H20F4 and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
PubChem CID18513408
Molecular FormulaC23H20F4
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-12-21(26)23(22(27)13-17)18-10-11-19(24)20(25)14-18/h4-7,10-14H,2-3,8-9H2,1H3
InChIKeyAGKIWBCIKVSWGA-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
1,2-difluoro-4-propylbenzene;methane
CID 160697343
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
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
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758638
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336
2-[[4-(3,4-difluorophenyl)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 153438755
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871294
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene (CID 18513408) is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is AGKIWBCIKVSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4/c1-2-3-15-4-6-16(7-5-15)8-9-17-12-21(26)23(22(27)13-17)18-10-11-19(24)20(25)14-18/h4-7,10-14H,2-3,8-9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene?
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 372.41 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 18513408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).