4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile

C20H16F5N — CID 54364242

IUPAC4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile
SMILESCCCC=C(F)c1cc(F)c(CCc2cc(F)c(C#N)c(F)c2)c(F)c1
InChIInChI=1S/C20H16F5N/c1-2-3-4-16(21)13-9-19(24)14(20(25)10-13)6-5-12-7-17(22)15(11-26)18(23)8-12/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUOQNIFXPSLIQNB-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.01
Rot. Bonds6

About 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile

4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile (PubChem CID 54364242) has the molecular formula C20H16F5N and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile
PubChem CID54364242
Molecular FormulaC20H16F5N
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile
SMILESCCCC=C(F)c1cc(F)c(CCc2cc(F)c(C#N)c(F)c2)c(F)c1
InChIInChI=1S/C20H16F5N/c1-2-3-4-16(21)13-9-19(24)14(20(25)10-13)6-5-12-7-17(22)15(11-26)18(23)8-12/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUOQNIFXPSLIQNB-UHFFFAOYSA-N
XLogP6.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2,6-difluoro-4-pent-1-enylphenyl)ethyl]-2,6-difluorobenzonitrile
CID 54506940
5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 22991338
2,6-difluoro-4-[2-[4-[(E)-2-fluoropent-1-enyl]phenyl]ethyl]benzonitrile
CID 22991398
2,6-difluoro-4-[2-[3-[(E)-2-fluoropent-1-enyl]phenyl]ethyl]benzonitrile
CID 67586556
4-[2-[6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2,6-difluorobenzonitrile
CID 139871184
4-[2-[4-[2-(4-but-3-enoxyphenyl)ethyl]-2,6-difluorophenyl]ethyl]-2,6-difluorobenzonitrile
CID 139901503
1,2-difluoro-4-[3-[4-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
CID 70028022
4-[2-(4-but-3-enyl-2,6-difluorophenyl)ethynyl]-2,6-difluorobenzonitrile
CID 58931960
2,6-difluoro-4-[2-[4-[2-(4-prop-2-enylphenyl)ethyl]phenyl]ethyl]benzonitrile
CID 139901751
2-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139857543
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile (CID 54364242) is 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile is CCCC=C(F)c1cc(F)c(CCc2cc(F)c(C#N)c(F)c2)c(F)c1.
What is the InChIKey of 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile?
The InChIKey is UOQNIFXPSLIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N/c1-2-3-4-16(21)13-9-19(24)14(20(25)10-13)6-5-12-7-17(22)15(11-26)18(23)8-12/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile?
4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile has a molecular weight of 365.35 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile is sourced from PubChem (CID 54364242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).