4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile

C24H20FN — CID 22044840

IUPAC4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C#N)cc3)c(F)cc1-2
InChIInChI=1S/C24H20FN/c1-2-3-4-16-7-10-21-19(11-16)12-20-13-23(24(25)14-22(20)21)18-8-5-17(15-26)6-9-18/h5-11,13-14H,2-4,12H2,1H3
InChIKeyLSSPJYDYBNNZIX-UHFFFAOYSA-N
MW341.43 g/mol
LogP6.28
Rot. Bonds4

About 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile

4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile (PubChem CID 22044840) has the molecular formula C24H20FN and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
PubChem CID22044840
Molecular FormulaC24H20FN
Molecular Weight341.43 g/mol
Exact Mass341.16
IUPAC Name4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C#N)cc3)c(F)cc1-2
InChIInChI=1S/C24H20FN/c1-2-3-4-16-7-10-21-19(11-16)12-20-13-23(24(25)14-22(20)21)18-8-5-17(15-26)6-9-18/h5-11,13-14H,2-4,12H2,1H3
InChIKeyLSSPJYDYBNNZIX-UHFFFAOYSA-N
XLogP6.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile
CID 22045606
(4-cyanophenyl) 7-butyl-1,3-difluoro-9H-fluorene-2-carboxylate
CID 139883672
4-[2-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]ethynyl]benzonitrile
CID 171752218
4-[5-butyl-2-(3-fluorophenyl)phenyl]benzonitrile
CID 67726210
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219

Frequently Asked Questions

What is the IUPAC name of 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile?
The IUPAC name of 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile (CID 22044840) is 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile.
What is the SMILES notation for 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile?
The canonical SMILES for 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile is CCCCc1ccc2c(c1)Cc1cc(-c3ccc(C#N)cc3)c(F)cc1-2.
What is the InChIKey of 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile?
The InChIKey is LSSPJYDYBNNZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN/c1-2-3-4-16-7-10-21-19(11-16)12-20-13-23(24(25)14-22(20)21)18-8-5-17(15-26)6-9-18/h5-11,13-14H,2-4,12H2,1H3.
What are the key properties of 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile?
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile has a molecular weight of 341.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile is sourced from PubChem (CID 22044840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).