6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene

C24H25F3O — CID 139864159

IUPAC6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
SMILESCCCCCc1ccc(C(F)(F)Oc2ccc3cc(CC)c(F)cc3c2)cc1
InChIInChI=1S/C24H25F3O/c1-3-5-6-7-17-8-11-21(12-9-17)24(26,27)28-22-13-10-19-14-18(4-2)23(25)16-20(19)15-22/h8-16H,3-7H2,1-2H3
InChIKeyWXMOSUKPKBGTIX-UHFFFAOYSA-N
MW386.46 g/mol
LogP7.40
Rot. Bonds8

About 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene

6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene (PubChem CID 139864159) has the molecular formula C24H25F3O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene.

Molecular Properties

Compound Name6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
PubChem CID139864159
Molecular FormulaC24H25F3O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
SMILESCCCCCc1ccc(C(F)(F)Oc2ccc3cc(CC)c(F)cc3c2)cc1
InChIInChI=1S/C24H25F3O/c1-3-5-6-7-17-8-11-21(12-9-17)24(26,27)28-22-13-10-19-14-18(4-2)23(25)16-20(19)15-22/h8-16H,3-7H2,1-2H3
InChIKeyWXMOSUKPKBGTIX-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 57.40
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

1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
2-[difluoro-(4-propylphenyl)methoxy]-6-fluoronaphthalene
CID 139854513
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
4-[4-[4-[difluoro-(4-pentylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluoro-1-[3-fluoro-4-(2-fluoroethyl)phenyl]benzene
CID 59329668
4-[difluoro-(4-pentylphenyl)methoxy]-1-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]phenyl]-2-fluorobenzene
CID 59329880
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139862460
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
1-[4-[[4-[3-(3,4-difluorophenoxy)-3,3-difluoropropyl]-3-fluorophenoxy]-difluoromethyl]phenyl]-2-fluoro-4-(4-pentylphenyl)benzene
CID 59328591
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene?
The IUPAC name of 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene (CID 139864159) is 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene.
What is the SMILES notation for 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene?
The canonical SMILES for 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene is CCCCCc1ccc(C(F)(F)Oc2ccc3cc(CC)c(F)cc3c2)cc1.
What is the InChIKey of 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene?
The InChIKey is WXMOSUKPKBGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O/c1-3-5-6-7-17-8-11-21(12-9-17)24(26,27)28-22-13-10-19-14-18(4-2)23(25)16-20(19)15-22/h8-16H,3-7H2,1-2H3.
What are the key properties of 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene?
6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene has a molecular weight of 386.46 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene is sourced from PubChem (CID 139864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).