6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene

C20H12F8O2 — CID 139856566

IUPAC6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(C(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C20H12F8O2/c1-2-29-12-8-15(21)17(16(22)9-12)20(27,28)30-11-4-5-13-10(7-11)3-6-14(18(13)23)19(24,25)26/h3-9H,2H2,1H3
InChIKeyBKDIORHTEGIVMC-UHFFFAOYSA-N
MW436.30 g/mol
LogP6.80
Rot. Bonds5

About 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene

6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139856566) has the molecular formula C20H12F8O2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
PubChem CID139856566
Molecular FormulaC20H12F8O2
Molecular Weight436.30 g/mol
Exact Mass436.07
IUPAC Name6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(C(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C20H12F8O2/c1-2-29-12-8-15(21)17(16(22)9-12)20(27,28)30-11-4-5-13-10(7-11)3-6-14(18(13)23)19(24,25)26/h3-9H,2H2,1H3
InChIKeyBKDIORHTEGIVMC-UHFFFAOYSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 56.80
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-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855989
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
CID 139853837
6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 139854100
6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene
CID 139854044
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-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875560
2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
CID 139854219
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139874977
4-[[4-(4-ethoxyphenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-fluorobenzonitrile
CID 20654242
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-5-(4-ethoxyphenyl)-1,3-difluorobenzene
CID 129036487

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene (CID 139856566) is 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene is CCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(C(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is BKDIORHTEGIVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F8O2/c1-2-29-12-8-15(21)17(16(22)9-12)20(27,28)30-11-4-5-13-10(7-11)3-6-14(18(13)23)19(24,25)26/h3-9H,2H2,1H3.
What are the key properties of 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene?
6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 436.30 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).