2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene

C17H15F3O — CID 177193037

IUPAC2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCOc1c(C2CCc3cc(F)ccc3C2)ccc(F)c1F
InChIInChI=1S/C17H15F3O/c1-21-17-14(6-7-15(19)16(17)20)12-3-2-11-9-13(18)5-4-10(11)8-12/h4-7,9,12H,2-3,8H2,1H3
InChIKeyMELLNFZGFWAYPM-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.39
Rot. Bonds2

About 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene

2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 177193037) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID177193037
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCOc1c(C2CCc3cc(F)ccc3C2)ccc(F)c1F
InChIInChI=1S/C17H15F3O/c1-21-17-14(6-7-15(19)16(17)20)12-3-2-11-9-13(18)5-4-10(11)8-12/h4-7,9,12H,2-3,8H2,1H3
InChIKeyMELLNFZGFWAYPM-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene (CID 177193037) is 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene is COc1c(C2CCc3cc(F)ccc3C2)ccc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MELLNFZGFWAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-21-17-14(6-7-15(19)16(17)20)12-3-2-11-9-13(18)5-4-10(11)8-12/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene?
2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.30 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 177193037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).