2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene

C20H13F7O2 — CID 58598898

IUPAC2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene
SMILESCCc1ccc2cc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C20H13F7O2/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)19(23,24)28-15-9-16(21)18(17(22)10-15)29-20(25,26)27/h3-10H,2H2,1H3
InChIKeySYKSKZJCRDZFMW-UHFFFAOYSA-N
MW418.31 g/mol
LogP6.71
Rot. Bonds5

About 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene

2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene (PubChem CID 58598898) has the molecular formula C20H13F7O2 and a molecular weight of 418.31 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene
PubChem CID58598898
Molecular FormulaC20H13F7O2
Molecular Weight418.31 g/mol
Exact Mass418.08
IUPAC Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene
SMILESCCc1ccc2cc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C20H13F7O2/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)19(23,24)28-15-9-16(21)18(17(22)10-15)29-20(25,26)27/h3-10H,2H2,1H3
InChIKeySYKSKZJCRDZFMW-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene?
The IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene (CID 58598898) is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene.
What is the SMILES notation for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene?
The canonical SMILES for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene is CCc1ccc2cc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1.
What is the InChIKey of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene?
The InChIKey is SYKSKZJCRDZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F7O2/c1-2-11-3-4-13-8-14(6-5-12(13)7-11)19(23,24)28-15-9-16(21)18(17(22)10-15)29-20(25,26)27/h3-10H,2H2,1H3.
What are the key properties of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene?
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene has a molecular weight of 418.31 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-6-ethylnaphthalene is sourced from PubChem (CID 58598898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).