5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C20H16F6O — CID 139849221

About 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849221) has the molecular formula C20H16F6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139849221
• Molecular Formula: C20H16F6O
• Molecular Weight: 386.34 g/mol
• Exact Mass: 386.11
• IUPAC Name: 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
• SMILES: C/C=C/c1ccc(C2CCc3c(cc(F)c(OC(F)(F)F)c3F)C2)c(F)c1
• InChI: InChI=1S/C20H16F6O/c1-2-3-11-4-6-14(16(21)8-11)12-5-7-15-13(9-12)10-17(22)19(18(15)23)27-20(24,25)26/h2-4,6,8,10,12H,5,7,9H2,1H3/b3-2+
• InChIKey: DXHRNJUFTSFDDB-NSCUHMNNSA-N
• XLogP: 6.31
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.34
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 139849221) is 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is C/C=C/c1ccc(C2CCc3c(cc(F)c(OC(F)(F)F)c3F)C2)c(F)c1.

What is the InChIKey of 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?

The InChIKey is DXHRNJUFTSFDDB-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H16F6O/c1-2-3-11-4-6-14(16(21)8-11)12-5-7-15-13(9-12)10-17(22)19(18(15)23)27-20(24,25)26/h2-4,6,8,10,12H,5,7,9H2,1H3/b3-2+.

What are the key properties of 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?

5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 386.34 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).