6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene

C19H13F5O2 — CID 139853837

IUPAC6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
SMILESCCOc1ccc(C(F)(F)Oc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C19H13F5O2/c1-2-25-13-5-6-15(16(20)10-13)19(23,24)26-14-4-3-11-8-17(21)18(22)9-12(11)7-14/h3-10H,2H2,1H3
InChIKeyUBNSXSOCJGYGIJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP5.78
Rot. Bonds5

About 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene

6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene (PubChem CID 139853837) has the molecular formula C19H13F5O2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene.

Molecular Properties

Compound Name6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
PubChem CID139853837
Molecular FormulaC19H13F5O2
Molecular Weight368.30 g/mol
Exact Mass368.08
IUPAC Name6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
SMILESCCOc1ccc(C(F)(F)Oc2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C19H13F5O2/c1-2-25-13-5-6-15(16(20)10-13)19(23,24)26-14-4-3-11-8-17(21)18(22)9-12(11)7-14/h3-10H,2H2,1H3
InChIKeyUBNSXSOCJGYGIJ-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 55.78
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-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856566
5-[2-[4-[[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorophenyl]ethynyl]-1,2,3-trifluorobenzene
CID 129036345
2,6-diethoxyanthracene
CID 12651989
6-[difluoro-(2-fluoro-4-methoxyphenyl)methoxy]-1,2-difluoronaphthalene
CID 139854044
2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
CID 139860822
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854299
2-(difluoromethyl)-1-[difluoro-(4-propylphenoxy)methyl]-4-(4-ethoxy-2-fluorophenyl)-3-fluorobenzene
CID 58953452
6-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854272
4-butoxy-1-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenyl]phenoxy]methyl]-2-fluorobenzene
CID 59328546
2-ethoxynaphthalene
CID 118978197
2-bromo-7-ethoxynaphthalene
CID 22240149

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene?
The IUPAC name of 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene (CID 139853837) is 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene.
What is the SMILES notation for 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene?
The canonical SMILES for 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene is CCOc1ccc(C(F)(F)Oc2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene?
The InChIKey is UBNSXSOCJGYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5O2/c1-2-25-13-5-6-15(16(20)10-13)19(23,24)26-14-4-3-11-8-17(21)18(22)9-12(11)7-14/h3-10H,2H2,1H3.
What are the key properties of 6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene?
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene has a molecular weight of 368.30 g/mol, XLogP of 5.78, 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-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene is sourced from PubChem (CID 139853837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).