2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene

C26H20F6O4 — CID 12996406

IUPAC2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene
SMILESCOCOc1c(C(F)(F)F)cc2ccccc2c1-c1c(OCOC)c(C(F)(F)F)cc2ccccc12
InChIInChI=1S/C26H20F6O4/c1-33-13-35-23-19(25(27,28)29)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26(30,31)32)24(22)36-14-34-2/h3-12H,13-14H2,1-2H3
InChIKeyWXHSUHHXALAFRM-UHFFFAOYSA-N
MW510.43 g/mol
LogP7.66
Rot. Bonds7

About 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene

2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene (PubChem CID 12996406) has the molecular formula C26H20F6O4 and a molecular weight of 510.43 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene
PubChem CID12996406
Molecular FormulaC26H20F6O4
Molecular Weight510.43 g/mol
Exact Mass510.13
IUPAC Name2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene
SMILESCOCOc1c(C(F)(F)F)cc2ccccc2c1-c1c(OCOC)c(C(F)(F)F)cc2ccccc12
InChIInChI=1S/C26H20F6O4/c1-33-13-35-23-19(25(27,28)29)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26(30,31)32)24(22)36-14-34-2/h3-12H,13-14H2,1-2H3
InChIKeyWXHSUHHXALAFRM-UHFFFAOYSA-N
XLogP7.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.43
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene?
The IUPAC name of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene (CID 12996406) is 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene is COCOc1c(C(F)(F)F)cc2ccccc2c1-c1c(OCOC)c(C(F)(F)F)cc2ccccc12.
What is the InChIKey of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene?
The InChIKey is WXHSUHHXALAFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6O4/c1-33-13-35-23-19(25(27,28)29)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26(30,31)32)24(22)36-14-34-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene?
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene has a molecular weight of 510.43 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(trifluoromethyl)naphthalen-1-yl]-3-(trifluoromethyl)naphthalene is sourced from PubChem (CID 12996406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).