6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile

C25H16F3N — CID 139817685

IUPAC6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
SMILESCCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)c(F)c1
InChIInChI=1S/C25H16F3N/c1-2-15-3-9-20(23(26)11-15)17-6-4-16(5-7-17)18-8-10-21-19(12-18)13-24(27)22(14-29)25(21)28/h3-13H,2H2,1H3
InChIKeyIZRSWGZRJRVVNE-UHFFFAOYSA-N
MW387.40 g/mol
LogP7.03
Rot. Bonds3

About 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile

6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile (PubChem CID 139817685) has the molecular formula C25H16F3N and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
PubChem CID139817685
Molecular FormulaC25H16F3N
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
SMILESCCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)c(F)c1
InChIInChI=1S/C25H16F3N/c1-2-15-3-9-20(23(26)11-15)17-6-4-16(5-7-17)18-8-10-21-19(12-18)13-24(27)22(14-29)25(21)28/h3-13H,2H2,1H3
InChIKeyIZRSWGZRJRVVNE-UHFFFAOYSA-N
XLogP7.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
CID 139817536
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
4-[2-(6-ethyl-1-fluoronaphthalen-2-yl)ethynyl]-2,6-difluorobenzonitrile
CID 139851320
6-[[4-(4-ethyl-2-fluorophenyl)-2,6-difluorophenoxy]methyl]-1,2,3-trifluoronaphthalene
CID 134554724
6-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-1,3-difluoronaphthalene-2-carbonitrile
CID 139817654
2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzonitrile
CID 90211912
(6-cyano-5,7-difluoronaphthalen-2-yl) 2,6-difluoro-4-pentylbenzoate
CID 139817629

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The IUPAC name of 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile (CID 139817685) is 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The canonical SMILES for 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile is CCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)c(F)c1.
What is the InChIKey of 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The InChIKey is IZRSWGZRJRVVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N/c1-2-15-3-9-20(23(26)11-15)17-6-4-16(5-7-17)18-8-10-21-19(12-18)13-24(27)22(14-29)25(21)28/h3-13H,2H2,1H3.
What are the key properties of 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile has a molecular weight of 387.40 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethyl-2-fluorophenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile is sourced from PubChem (CID 139817685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).