1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene

C21H16F4 — CID 139849412

IUPAC1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
SMILESCc1ccc2c(F)c(C3CCc4c(cc(F)c(F)c4F)C3)ccc2c1
InChIInChI=1S/C21H16F4/c1-11-2-5-15-12(8-11)3-6-16(19(15)23)13-4-7-17-14(9-13)10-18(22)21(25)20(17)24/h2-3,5-6,8,10,13H,4,7,9H2,1H3
InChIKeyGGKSPDYFYGPDII-UHFFFAOYSA-N
MW344.35 g/mol
LogP5.98
Rot. Bonds1

About 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene

1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene (PubChem CID 139849412) has the molecular formula C21H16F4 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
PubChem CID139849412
Molecular FormulaC21H16F4
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC Name1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
SMILESCc1ccc2c(F)c(C3CCc4c(cc(F)c(F)c4F)C3)ccc2c1
InChIInChI=1S/C21H16F4/c1-11-2-5-15-12(8-11)3-6-16(19(15)23)13-4-7-17-14(9-13)10-18(22)21(25)20(17)24/h2-3,5-6,8,10,13H,4,7,9H2,1H3
InChIKeyGGKSPDYFYGPDII-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139849532
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
6-butyl-1-fluoro-2-[5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849545
3-fluoro-6-(1-fluoro-6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849619
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848451
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The IUPAC name of 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene (CID 139849412) is 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The canonical SMILES for 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene is Cc1ccc2c(F)c(C3CCc4c(cc(F)c(F)c4F)C3)ccc2c1.
What is the InChIKey of 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The InChIKey is GGKSPDYFYGPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4/c1-11-2-5-15-12(8-11)3-6-16(19(15)23)13-4-7-17-14(9-13)10-18(22)21(25)20(17)24/h2-3,5-6,8,10,13H,4,7,9H2,1H3.
What are the key properties of 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene has a molecular weight of 344.35 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 139849412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).