6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene

C20H14F6O — CID 139854299

IUPAC6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
SMILESCCCc1ccc(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H14F6O/c1-2-3-11-4-7-15(16(21)8-11)20(25,26)27-13-5-6-14-12(9-13)10-17(22)19(24)18(14)23/h4-10H,2-3H2,1H3
InChIKeyBSOZGCDFBIKJIH-UHFFFAOYSA-N
MW384.32 g/mol
LogP6.48
Rot. Bonds5

About 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene

6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene (PubChem CID 139854299) has the molecular formula C20H14F6O and a molecular weight of 384.32 g/mol. Its IUPAC name is 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
PubChem CID139854299
Molecular FormulaC20H14F6O
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC Name6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
SMILESCCCc1ccc(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H14F6O/c1-2-3-11-4-7-15(16(21)8-11)20(25,26)27-13-5-6-14-12(9-13)10-17(22)19(24)18(14)23/h4-10H,2-3H2,1H3
InChIKeyBSOZGCDFBIKJIH-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854272
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene
CID 90180262
5-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluorobenzene
CID 54461993
6-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 134554735
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 89280338
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 160686905
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 118900750
5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
CID 90179489
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856090
6-[2-[4-[(2,3-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]ethyl]-1,2,3,8-tetrafluoronaphthalene
CID 118894608

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene (CID 139854299) is 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene is CCCc1ccc(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene?
The InChIKey is BSOZGCDFBIKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6O/c1-2-3-11-4-7-15(16(21)8-11)20(25,26)27-13-5-6-14-12(9-13)10-17(22)19(24)18(14)23/h4-10H,2-3H2,1H3.
What are the key properties of 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene?
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene has a molecular weight of 384.32 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 139854299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).