2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene

C21H15F3 — CID 139846949

IUPAC2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
SMILESCCCc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C21H15F3/c1-2-3-14-4-7-16(19(22)11-14)8-5-15-6-9-17-12-20(23)21(24)13-18(17)10-15/h4,6-7,9-13H,2-3H2,1H3
InChIKeyWTZLDPRRYNDQTN-UHFFFAOYSA-N
MW324.35 g/mol
LogP5.61
Rot. Bonds2

About 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene

2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene (PubChem CID 139846949) has the molecular formula C21H15F3 and a molecular weight of 324.35 g/mol. Its IUPAC name is 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
PubChem CID139846949
Molecular FormulaC21H15F3
Molecular Weight324.35 g/mol
Exact Mass324.11
IUPAC Name2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
SMILESCCCc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C21H15F3/c1-2-3-14-4-7-16(19(22)11-14)8-5-15-6-9-17-12-20(23)21(24)13-18(17)10-15/h4,6-7,9-13H,2-3H2,1H3
InChIKeyWTZLDPRRYNDQTN-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.35
LogP ≤ 55.61
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

2,3-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethynyl]phenyl]naphthalene
CID 139846966
2,3-difluoro-6-[2-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139859006
2,3-difluoro-6-[2-[2-fluoro-4-(2-fluoro-4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139847102
6-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859605
2,3-difluoro-6-[2-[2-fluoro-4-(4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139847021
1,2,3,8-tetrafluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
CID 139846766
6-[2-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139846670
2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
CID 163541849
1,2,3-trifluoro-6-[2-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139859043
2-[2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3-fluorophenyl]ethyl]-5-ethoxypyridine
CID 139857560
2-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]-2-fluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139858954
2,3-difluoro-6-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858468

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene?
The IUPAC name of 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene (CID 139846949) is 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene.
What is the SMILES notation for 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene?
The canonical SMILES for 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene is CCCc1ccc(C#Cc2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene?
The InChIKey is WTZLDPRRYNDQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3/c1-2-3-14-4-7-16(19(22)11-14)8-5-15-6-9-17-12-20(23)21(24)13-18(17)10-15/h4,6-7,9-13H,2-3H2,1H3.
What are the key properties of 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene?
2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene has a molecular weight of 324.35 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene is sourced from PubChem (CID 139846949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).