2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene

C22H21F3 — CID 139847283

IUPAC2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
SMILESCCCCCCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H21F3/c1-2-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-13-21(24)22(25)14-18(16)12-17/h7-14H,2-6H2,1H3
InChIKeyFBFVOWLJHRNOBF-UHFFFAOYSA-N
MW342.40 g/mol
LogP7.05
Rot. Bonds6

About 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene

2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene (PubChem CID 139847283) has the molecular formula C22H21F3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
PubChem CID139847283
Molecular FormulaC22H21F3
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
SMILESCCCCCCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H21F3/c1-2-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-13-21(24)22(25)14-18(16)12-17/h7-14H,2-6H2,1H3
InChIKeyFBFVOWLJHRNOBF-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 57.05
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

6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
CID 139846711
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
2,3-difluoro-6-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]naphthalene
CID 139859423
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
2,3-difluoro-6-[2-[2-fluoro-4-(2-fluoro-4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139847102
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
6-[4-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846574
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene?
The IUPAC name of 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene (CID 139847283) is 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene.
What is the SMILES notation for 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene?
The canonical SMILES for 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene is CCCCCCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene?
The InChIKey is FBFVOWLJHRNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3/c1-2-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-13-21(24)22(25)14-18(16)12-17/h7-14H,2-6H2,1H3.
What are the key properties of 2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene?
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene has a molecular weight of 342.40 g/mol, XLogP of 7.05, 6 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-fluoro-4-hexylphenyl)naphthalene is sourced from PubChem (CID 139847283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).