2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene

C25H24ClF — CID 139884027

IUPAC2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C25H24ClF/c1-2-3-4-5-6-17-7-12-22-19(13-17)14-20-15-24(25(27)16-23(20)22)18-8-10-21(26)11-9-18/h7-13,15-16H,2-6,14H2,1H3
InChIKeyACXULPYLTXTPQY-UHFFFAOYSA-N
MW378.92 g/mol
LogP7.84
Rot. Bonds6

About 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene

2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene (PubChem CID 139884027) has the molecular formula C25H24ClF and a molecular weight of 378.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
PubChem CID139884027
Molecular FormulaC25H24ClF
Molecular Weight378.92 g/mol
Exact Mass378.16
IUPAC Name2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C25H24ClF/c1-2-3-4-5-6-17-7-12-22-19(13-17)14-20-15-24(25(27)16-23(20)22)18-8-10-21(26)11-9-18/h7-13,15-16H,2-6,14H2,1H3
InChIKeyACXULPYLTXTPQY-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.92
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
3-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883300
2-hexyl-9H-fluorene
CID 2801684

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene?
The IUPAC name of 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene (CID 139884027) is 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene.
What is the SMILES notation for 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene?
The canonical SMILES for 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene is CCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2.
What is the InChIKey of 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene?
The InChIKey is ACXULPYLTXTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF/c1-2-3-4-5-6-17-7-12-22-19(13-17)14-20-15-24(25(27)16-23(20)22)18-8-10-21(26)11-9-18/h7-13,15-16H,2-6,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene?
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene has a molecular weight of 378.92 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene is sourced from PubChem (CID 139884027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).