2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene

C24H19F — CID 22045484

IUPAC2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2
InChIInChI=1S/C24H19F/c1-2-3-18-8-12-23-20(14-18)16-21-15-19(9-13-24(21)23)5-4-17-6-10-22(25)11-7-17/h6-15H,2-3,16H2,1H3
InChIKeyVTSIETZQWXVMJI-UHFFFAOYSA-N
MW326.41 g/mol
LogP5.75
Rot. Bonds2

About 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene

2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene (PubChem CID 22045484) has the molecular formula C24H19F and a molecular weight of 326.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
PubChem CID22045484
Molecular FormulaC24H19F
Molecular Weight326.41 g/mol
Exact Mass326.15
IUPAC Name2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2
InChIInChI=1S/C24H19F/c1-2-3-18-8-12-23-20(14-18)16-21-15-19(9-13-24(21)23)5-4-17-6-10-22(25)11-7-17/h6-15H,2-3,16H2,1H3
InChIKeyVTSIETZQWXVMJI-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene
CID 139883583
2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethynyl]-7-propyl-9H-fluorene
CID 22045166
2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethynyl]-7-propyl-9,10-dihydrophenanthrene
CID 22044552
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-7-pentyl-9H-fluorene
CID 139883963
2-[2-(4-fluorophenyl)ethynyl]-7-propylphenanthrene
CID 22044919
1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 71345991
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-7-heptyl-9H-fluorene
CID 139883406
2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]-7-heptyl-9H-fluorene
CID 139884356
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
2-hexyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-9,10-dihydrophenanthrene
CID 139883306
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 139858897
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene?
The IUPAC name of 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene (CID 22045484) is 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene is CCCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene?
The InChIKey is VTSIETZQWXVMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F/c1-2-3-18-8-12-23-20(14-18)16-21-15-19(9-13-24(21)23)5-4-17-6-10-22(25)11-7-17/h6-15H,2-3,16H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene?
2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene has a molecular weight of 326.41 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene is sourced from PubChem (CID 22045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).