5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene

C22H22F6 — CID 22991338

IUPAC5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
SMILESCCC/C(F)=C(/F)c1cc(F)c(CCc2cc(F)c(CCC)c(F)c2)c(F)c1
InChIInChI=1S/C22H22F6/c1-3-5-15-18(24)9-13(10-19(15)25)7-8-16-20(26)11-14(12-21(16)27)22(28)17(23)6-4-2/h9-12H,3-8H2,1-2H3/b22-17-
InChIKeyGFMFCTZTHSDHRQ-XLNRJJMWSA-N
MW400.41 g/mol
LogP7.39
Rot. Bonds8

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

5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene (PubChem CID 22991338) has the molecular formula C22H22F6 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
PubChem CID22991338
Molecular FormulaC22H22F6
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
SMILESCCC/C(F)=C(/F)c1cc(F)c(CCc2cc(F)c(CCC)c(F)c2)c(F)c1
InChIInChI=1S/C22H22F6/c1-3-5-15-18(24)9-13(10-19(15)25)7-8-16-20(26)11-14(12-21(16)27)22(28)17(23)6-4-2/h9-12H,3-8H2,1-2H3/b22-17-
InChIKeyGFMFCTZTHSDHRQ-XLNRJJMWSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
CID 54166498
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585
4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile
CID 54364242
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
CID 70028319
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
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
2-but-3-enyl-5-[4-[2-[4-[4-(1,2-difluorohex-1-enyl)-2-fluorophenyl]-2-fluorophenyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 123708542
(2,6-difluoro-4-propylphenyl)boronic acid
CID 19783701

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene (CID 22991338) is 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene is CCC/C(F)=C(/F)c1cc(F)c(CCc2cc(F)c(CCC)c(F)c2)c(F)c1.
What is the InChIKey of 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is GFMFCTZTHSDHRQ-XLNRJJMWSA-N. The full InChI is InChI=1S/C22H22F6/c1-3-5-15-18(24)9-13(10-19(15)25)7-8-16-20(26)11-14(12-21(16)27)22(28)17(23)6-4-2/h9-12H,3-8H2,1-2H3/b22-17-.
What are the key properties of 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene?
5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene has a molecular weight of 400.41 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 22991338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).