6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene

C18H11F5O2 — CID 139854044

IUPAC6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene
SMILESCOc1ccc(C(F)(F)Oc2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C18H11F5O2/c1-24-11-4-6-14(16(20)9-11)18(22,23)25-12-3-5-13-10(8-12)2-7-15(19)17(13)21/h2-9H,1H3
InChIKeyFLJYCCPFBHNGPS-UHFFFAOYSA-N
MW354.27 g/mol
LogP5.39
Rot. Bonds4

About 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene

6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene (PubChem CID 139854044) has the molecular formula C18H11F5O2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene
PubChem CID139854044
Molecular FormulaC18H11F5O2
Molecular Weight354.27 g/mol
Exact Mass354.07
IUPAC Name6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene
SMILESCOc1ccc(C(F)(F)Oc2ccc3c(F)c(F)ccc3c2)c(F)c1
InChIInChI=1S/C18H11F5O2/c1-24-11-4-6-14(16(20)9-11)18(22,23)25-12-3-5-13-10(8-12)2-7-15(19)17(13)21/h2-9H,1H3
InChIKeyFLJYCCPFBHNGPS-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856090
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
CID 139853837
6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856566
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854299
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
6-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854272
7,20-dimethoxyhexacyclo[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 58411039
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 118900750
2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]-1,3,5-trimethoxybenzene
CID 89145117

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene?
The IUPAC name of 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene (CID 139854044) is 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene.
What is the SMILES notation for 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene?
The canonical SMILES for 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene is COc1ccc(C(F)(F)Oc2ccc3c(F)c(F)ccc3c2)c(F)c1.
What is the InChIKey of 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene?
The InChIKey is FLJYCCPFBHNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5O2/c1-24-11-4-6-14(16(20)9-11)18(22,23)25-12-3-5-13-10(8-12)2-7-15(19)17(13)21/h2-9H,1H3.
What are the key properties of 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene?
6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene has a molecular weight of 354.27 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene is sourced from PubChem (CID 139854044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).