1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene

C23H23F3 — CID 139847108

IUPAC1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
SMILESCCCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C23H23F3/c1-2-3-4-5-6-7-16-8-11-19(22(25)14-16)17-9-12-20-18(15-17)10-13-21(24)23(20)26/h8-15H,2-7H2,1H3
InChIKeyZTBSYRFWVXBXEW-UHFFFAOYSA-N
MW356.43 g/mol
LogP7.44
Rot. Bonds7

About 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene

1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene (PubChem CID 139847108) has the molecular formula C23H23F3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
PubChem CID139847108
Molecular FormulaC23H23F3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
SMILESCCCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C23H23F3/c1-2-3-4-5-6-7-16-8-11-19(22(25)14-16)17-9-12-20-18(15-17)10-13-21(24)23(20)26/h8-15H,2-7H2,1H3
InChIKeyZTBSYRFWVXBXEW-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 57.44
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

1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855410
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene?
The IUPAC name of 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene (CID 139847108) is 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene.
What is the SMILES notation for 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene?
The canonical SMILES for 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene is CCCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)c(F)c1.
What is the InChIKey of 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene?
The InChIKey is ZTBSYRFWVXBXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3/c1-2-3-4-5-6-7-16-8-11-19(22(25)14-16)17-9-12-20-18(15-17)10-13-21(24)23(20)26/h8-15H,2-7H2,1H3.
What are the key properties of 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene?
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene has a molecular weight of 356.43 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene is sourced from PubChem (CID 139847108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).