4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile

C24H19F2N — CID 22045606

IUPAC4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile
SMILESCCCCc1c(F)cc2c(c1F)Cc1cc(-c3ccc(C#N)cc3)ccc1-2
InChIInChI=1S/C24H19F2N/c1-2-3-4-20-23(25)13-21-19-10-9-17(11-18(19)12-22(21)24(20)26)16-7-5-15(14-27)6-8-16/h5-11,13H,2-4,12H2,1H3
InChIKeyRPJBZTYBALWQJO-UHFFFAOYSA-N
MW359.42 g/mol
LogP6.42
Rot. Bonds4

About 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile

4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile (PubChem CID 22045606) has the molecular formula C24H19F2N and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile
PubChem CID22045606
Molecular FormulaC24H19F2N
Molecular Weight359.42 g/mol
Exact Mass359.15
IUPAC Name4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile
SMILESCCCCc1c(F)cc2c(c1F)Cc1cc(-c3ccc(C#N)cc3)ccc1-2
InChIInChI=1S/C24H19F2N/c1-2-3-4-20-23(25)13-21-19-10-9-17(11-18(19)12-22(21)24(20)26)16-7-5-15(14-27)6-8-16/h5-11,13H,2-4,12H2,1H3
InChIKeyRPJBZTYBALWQJO-UHFFFAOYSA-N
XLogP6.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(6,8-difluoro-7-hexyl-9H-fluoren-2-yl)-2-fluorobenzonitrile
CID 22044625
4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile
CID 22045048
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
4-(8-fluoro-7-pentyl-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22044703
(4-cyanophenyl) 7-butyl-1,3-difluoro-9H-fluorene-2-carboxylate
CID 139883672
2-fluoro-4-(8-fluoro-7-hexyl-9H-fluoren-2-yl)benzonitrile
CID 22045088
4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045613
4-[4-(3,4-dibutyl-1-fluoronaphthalen-2-yl)phenyl]benzonitrile
CID 175235534
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
2-fluoro-4-(6-fluoro-7-pentyl-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045054
4-(7-ethyl-1,3-difluoro-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045451
4-(4-cyanophenyl)-3-fluoro-2-pentylbenzoic acid
CID 67659689

Frequently Asked Questions

What is the IUPAC name of 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile?
The IUPAC name of 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile (CID 22045606) is 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile.
What is the SMILES notation for 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile?
The canonical SMILES for 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile is CCCCc1c(F)cc2c(c1F)Cc1cc(-c3ccc(C#N)cc3)ccc1-2.
What is the InChIKey of 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile?
The InChIKey is RPJBZTYBALWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N/c1-2-3-4-20-23(25)13-21-19-10-9-17(11-18(19)12-22(21)24(20)26)16-7-5-15(14-27)6-8-16/h5-11,13H,2-4,12H2,1H3.
What are the key properties of 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile?
4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile has a molecular weight of 359.42 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile is sourced from PubChem (CID 22045606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).