1,2-difluoro-6-(4-hexylphenyl)naphthalene

C22H22F2 — CID 139846673

IUPAC1,2-difluoro-6-(4-hexylphenyl)naphthalene
SMILESCCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1
InChIInChI=1S/C22H22F2/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(23)22(20)24/h7-15H,2-6H2,1H3
InChIKeyJAKVWHLISABCRM-UHFFFAOYSA-N
MW324.41 g/mol
LogP6.91
Rot. Bonds6

About 1,2-difluoro-6-(4-hexylphenyl)naphthalene

1,2-difluoro-6-(4-hexylphenyl)naphthalene (PubChem CID 139846673) has the molecular formula C22H22F2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,2-difluoro-6-(4-hexylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-(4-hexylphenyl)naphthalene
PubChem CID139846673
Molecular FormulaC22H22F2
Molecular Weight324.41 g/mol
Exact Mass324.17
IUPAC Name1,2-difluoro-6-(4-hexylphenyl)naphthalene
SMILESCCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1
InChIInChI=1S/C22H22F2/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(23)22(20)24/h7-15H,2-6H2,1H3
InChIKeyJAKVWHLISABCRM-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 56.91
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-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
6-(4-but-3-enylphenyl)-1-fluoro-2-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139877097
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-(4-heptylphenyl)naphthalene
CID 139876511
6-butyl-1-fluoro-2-[4-(4-methylphenyl)phenyl]naphthalene;1-fluoro-2-[4-(4-methylphenyl)phenyl]-6-pentylnaphthalene
CID 18411080
6,18-bis(4-hexylphenyl)-12,24-dithiahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3(8),4,6,9,14(23),15(20),16,18,21-undecaene
CID 122229157
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-(4-pentylphenyl)naphthalene
CID 139876040

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-(4-hexylphenyl)naphthalene?
The IUPAC name of 1,2-difluoro-6-(4-hexylphenyl)naphthalene (CID 139846673) is 1,2-difluoro-6-(4-hexylphenyl)naphthalene.
What is the SMILES notation for 1,2-difluoro-6-(4-hexylphenyl)naphthalene?
The canonical SMILES for 1,2-difluoro-6-(4-hexylphenyl)naphthalene is CCCCCCc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1.
What is the InChIKey of 1,2-difluoro-6-(4-hexylphenyl)naphthalene?
The InChIKey is JAKVWHLISABCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-20-19(15-18)12-14-21(23)22(20)24/h7-15H,2-6H2,1H3.
What are the key properties of 1,2-difluoro-6-(4-hexylphenyl)naphthalene?
1,2-difluoro-6-(4-hexylphenyl)naphthalene has a molecular weight of 324.41 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-(4-hexylphenyl)naphthalene is sourced from PubChem (CID 139846673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).