2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene

C27H20F6O2 — CID 139870997

IUPAC2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
SMILESCOCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H20F6O2/c1-34-14-16-11-22(29)25(23(30)12-16)19-7-8-20-18(13-19)6-5-17(26(20)31)4-2-15-3-9-24(21(28)10-15)35-27(32)33/h3,5-13,27H,2,4,14H2,1H3
InChIKeyPROHQBFVLQGWQW-UHFFFAOYSA-N
MW490.44 g/mol
LogP7.60
Rot. Bonds8

About 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene (PubChem CID 139870997) has the molecular formula C27H20F6O2 and a molecular weight of 490.44 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
PubChem CID139870997
Molecular FormulaC27H20F6O2
Molecular Weight490.44 g/mol
Exact Mass490.14
IUPAC Name2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
SMILESCOCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H20F6O2/c1-34-14-16-11-22(29)25(23(30)12-16)19-7-8-20-18(13-19)6-5-17(26(20)31)4-2-15-3-9-24(21(28)10-15)35-27(32)33/h3,5-13,27H,2,4,14H2,1H3
InChIKeyPROHQBFVLQGWQW-UHFFFAOYSA-N
XLogP7.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.44
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene with MolForge

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Related Compounds

2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875417
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875278
6-(2,6-difluoro-4-hexoxyphenyl)-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139870950
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872431
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139873908
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyrimidine
CID 139871136
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871216
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene
CID 139871434
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine
CID 139874547
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene (CID 139870997) is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene is COCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The InChIKey is PROHQBFVLQGWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6O2/c1-34-14-16-11-22(29)25(23(30)12-16)19-7-8-20-18(13-19)6-5-17(26(20)31)4-2-15-3-9-24(21(28)10-15)35-27(32)33/h3,5-13,27H,2,4,14H2,1H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene has a molecular weight of 490.44 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139870997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).