2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene

C24H22F6O — CID 139855620

IUPAC2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
SMILESCCCCCc1cc(F)c(CCc2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C24H22F6O/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)23(22(17)28)31-24(29)30/h6,8,10-13,24H,2-5,7,9H2,1H3
InChIKeySXIMXXKGYHFQQP-UHFFFAOYSA-N
MW440.43 g/mol
LogP7.52
Rot. Bonds9

About 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene

2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene (PubChem CID 139855620) has the molecular formula C24H22F6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
PubChem CID139855620
Molecular FormulaC24H22F6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
SMILESCCCCCc1cc(F)c(CCc2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C24H22F6O/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)23(22(17)28)31-24(29)30/h6,8,10-13,24H,2-5,7,9H2,1H3
InChIKeySXIMXXKGYHFQQP-UHFFFAOYSA-N
XLogP7.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139872902
6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856361
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
2-(2,2-difluoroethenyl)-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855835
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
6-[2-(4-butoxyphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139873719
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855843
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-hexylnaphthalene
CID 139851437
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoronaphthalene
CID 139874931
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-[2-(2,6-difluoro-4-pentoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139872394
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene (CID 139855620) is 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene is CCCCCc1cc(F)c(CCc2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene?
The InChIKey is SXIMXXKGYHFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6O/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)23(22(17)28)31-24(29)30/h6,8,10-13,24H,2-5,7,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene?
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene has a molecular weight of 440.43 g/mol, XLogP of 7.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene is sourced from PubChem (CID 139855620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).