5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene

C21H22F4 — CID 54166498

IUPAC5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
SMILESCCCC(F)=C(F)c1ccc(CCc2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C21H22F4/c1-3-5-18(22)21(25)16-10-8-14(9-11-16)6-7-15-12-19(23)17(4-2)20(24)13-15/h8-13H,3-7H2,1-2H3
InChIKeyORZVXQVLQLPPBS-UHFFFAOYSA-N
MW350.40 g/mol
LogP6.72
Rot. Bonds7

About 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene

5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene (PubChem CID 54166498) has the molecular formula C21H22F4 and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene.

Molecular Properties

Compound Name5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
PubChem CID54166498
Molecular FormulaC21H22F4
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
SMILESCCCC(F)=C(F)c1ccc(CCc2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C21H22F4/c1-3-5-18(22)21(25)16-10-8-14(9-11-16)6-7-15-12-19(23)17(4-2)20(24)13-15/h8-13H,3-7H2,1-2H3
InChIKeyORZVXQVLQLPPBS-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 22991338
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
CID 70028319
1-[(Z)-1,2-difluoropent-1-enyl]-4-[(4-octylphenyl)methoxy]benzene
CID 22991350
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 70184913
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920
5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine
CID 123619779
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]oxane
CID 123508565
2,6-difluoro-4-[2-[4-[(E)-2-fluoropent-1-enyl]phenyl]ethyl]benzonitrile
CID 22991398

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene?
The IUPAC name of 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene (CID 54166498) is 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene.
What is the SMILES notation for 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene?
The canonical SMILES for 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene is CCCC(F)=C(F)c1ccc(CCc2cc(F)c(CC)c(F)c2)cc1.
What is the InChIKey of 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene?
The InChIKey is ORZVXQVLQLPPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4/c1-3-5-18(22)21(25)16-10-8-14(9-11-16)6-7-15-12-19(23)17(4-2)20(24)13-15/h8-13H,3-7H2,1-2H3.
What are the key properties of 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene?
5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene has a molecular weight of 350.40 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene is sourced from PubChem (CID 54166498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).