6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene

C21H17F — CID 139875710

IUPAC6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
SMILESCCc1ccc2c(F)c(C#Cc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C21H17F/c1-3-16-9-13-20-19(14-16)12-11-18(21(20)22)10-8-17-6-4-15(2)5-7-17/h4-7,9,11-14H,3H2,1-2H3
InChIKeyAWVYUKLQWQUIRG-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.25
Rot. Bonds1

About 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene

6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene (PubChem CID 139875710) has the molecular formula C21H17F and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene.

Molecular Properties

Compound Name6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
PubChem CID139875710
Molecular FormulaC21H17F
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene
SMILESCCc1ccc2c(F)c(C#Cc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C21H17F/c1-3-16-9-13-20-19(14-16)12-11-18(21(20)22)10-8-17-6-4-15(2)5-7-17/h4-7,9,11-14H,3H2,1-2H3
InChIKeyAWVYUKLQWQUIRG-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.25
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

6-ethyl-1-fluoro-2-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877504
4-[2-(6-ethyl-1-fluoronaphthalen-2-yl)ethynyl]-2-fluorobenzonitrile
CID 139851411
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-6-ethyl-1-fluoronaphthalene
CID 139851509
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]naphthalene
CID 139850630
4-[2-[6-[2-(4-ethylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethynyl]benzonitrile
CID 139851337
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139877193
2-[2-(4-ethylphenyl)ethynyl]-1-fluoro-6-[2-(4-pentylphenyl)ethyl]naphthalene
CID 139877472
1-fluoro-2-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]-6-methylnaphthalene
CID 139875804
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
4-[2-(6-ethyl-1-fluoronaphthalen-2-yl)ethynyl]-2,6-difluorobenzonitrile
CID 139851320
6-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139857447
1-fluoro-2-[2-[4-(4-methylphenyl)phenyl]ethynyl]-6-[(E)-pent-3-enyl]naphthalene
CID 139875847

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene?
The IUPAC name of 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene (CID 139875710) is 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene.
What is the SMILES notation for 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene?
The canonical SMILES for 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene is CCc1ccc2c(F)c(C#Cc3ccc(C)cc3)ccc2c1.
What is the InChIKey of 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene?
The InChIKey is AWVYUKLQWQUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F/c1-3-16-9-13-20-19(14-16)12-11-18(21(20)22)10-8-17-6-4-15(2)5-7-17/h4-7,9,11-14H,3H2,1-2H3.
What are the key properties of 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene?
6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene has a molecular weight of 288.37 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluoro-2-[2-(4-methylphenyl)ethynyl]naphthalene is sourced from PubChem (CID 139875710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).