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

C23H17F — CID 139883583

IUPAC2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2
InChIInChI=1S/C23H17F/c1-2-16-7-11-22-19(13-16)15-20-14-18(8-12-23(20)22)4-3-17-5-9-21(24)10-6-17/h5-14H,2,15H2,1H3
InChIKeyKMMRVWLGRTXPJM-UHFFFAOYSA-N
MW312.39 g/mol
LogP5.36
Rot. Bonds1

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

2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene (PubChem CID 139883583) has the molecular formula C23H17F and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene.

Molecular Properties

Compound Name2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene
PubChem CID139883583
Molecular FormulaC23H17F
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2
InChIInChI=1S/C23H17F/c1-2-16-7-11-22-19(13-16)15-20-14-18(8-12-23(20)22)4-3-17-5-9-21(24)10-6-17/h5-14H,2,15H2,1H3
InChIKeyKMMRVWLGRTXPJM-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.36
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-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
CID 22045484
2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethynyl]-7-propyl-9H-fluorene
CID 22045166
N-[(7-ethyl-9H-fluoren-2-yl)methyl]-N-methylethanamine
CID 170383446
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-7-pentyl-9H-fluorene
CID 139883963
2,7-bis(prop-1-ynyl)-9H-fluorene
CID 15861923
2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
CID 90976164
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
3-ethyl-3-[6-[4-[2-(7-fluoro-9H-fluoren-2-yl)ethynyl]phenoxy]hexoxymethyl]oxetane
CID 58586953
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
4-[2-(4-ethylphenyl)ethynyl]-2-fluorophenol
CID 170842246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene?
The IUPAC name of 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene (CID 139883583) is 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene.
What is the SMILES notation for 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene?
The canonical SMILES for 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene is CCc1ccc2c(c1)Cc1cc(C#Cc3ccc(F)cc3)ccc1-2.
What is the InChIKey of 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene?
The InChIKey is KMMRVWLGRTXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F/c1-2-16-7-11-22-19(13-16)15-20-14-18(8-12-23(20)22)4-3-17-5-9-21(24)10-6-17/h5-14H,2,15H2,1H3.
What are the key properties of 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene?
2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene has a molecular weight of 312.39 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene is sourced from PubChem (CID 139883583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).