2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile

C17H13F2N — CID 59077359

IUPAC2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CC/C=C\F)cc2)cc1F
InChIInChI=1S/C17H13F2N/c18-10-2-1-3-13-4-6-14(7-5-13)15-8-9-16(12-20)17(19)11-15/h2,4-11H,1,3H2/b10-2-
InChIKeyAHNPNFNKTMMAGR-SGAXSIHGSA-N
MW269.29 g/mol
LogP4.78
Rot. Bonds4

About 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile

2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile (PubChem CID 59077359) has the molecular formula C17H13F2N and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
PubChem CID59077359
Molecular FormulaC17H13F2N
Molecular Weight269.29 g/mol
Exact Mass269.10
IUPAC Name2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CC/C=C\F)cc2)cc1F
InChIInChI=1S/C17H13F2N/c18-10-2-1-3-13-4-6-14(7-5-13)15-8-9-16(12-20)17(19)11-15/h2,4-11H,1,3H2/b10-2-
InChIKeyAHNPNFNKTMMAGR-SGAXSIHGSA-N
XLogP4.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluoro-4-(4-propylphenyl)benzonitrile
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2-fluoro-4-[2-[4-[(E)-7-fluorohept-6-enyl]cyclohexyl]ethyl]benzonitrile
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1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
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1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
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1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
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CID 59328863

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile (CID 59077359) is 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(CC/C=C\F)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile?
The InChIKey is AHNPNFNKTMMAGR-SGAXSIHGSA-N. The full InChI is InChI=1S/C17H13F2N/c18-10-2-1-3-13-4-6-14(7-5-13)15-8-9-16(12-20)17(19)11-15/h2,4-11H,1,3H2/b10-2-.
What are the key properties of 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile?
2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile has a molecular weight of 269.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile is sourced from PubChem (CID 59077359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).