2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene

C23H21F3 — CID 139849743

IUPAC2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C23H21F3/c1-2-3-14-4-8-18-15(12-14)5-9-19(22(18)25)16-6-10-20-17(13-16)7-11-21(24)23(20)26/h4-5,7-9,11-12,16H,2-3,6,10,13H2,1H3
InChIKeyLSPJHOWHKQPBIR-UHFFFAOYSA-N
MW354.42 g/mol
LogP6.48
Rot. Bonds3

About 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene

2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene (PubChem CID 139849743) has the molecular formula C23H21F3 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
PubChem CID139849743
Molecular FormulaC23H21F3
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C23H21F3/c1-2-3-14-4-8-18-15(12-14)5-9-19(22(18)25)16-6-10-20-17(13-16)7-11-21(24)23(20)26/h4-5,7-9,11-12,16H,2-3,6,10,13H2,1H3
InChIKeyLSPJHOWHKQPBIR-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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)-1-fluoro-6-hexylnaphthalene
CID 139849579
6-butyl-1-fluoro-2-[5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849545
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893
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
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849412
1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847971

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene?
The IUPAC name of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene (CID 139849743) is 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene is CCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1.
What is the InChIKey of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene?
The InChIKey is LSPJHOWHKQPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3/c1-2-3-14-4-8-18-15(12-14)5-9-19(22(18)25)16-6-10-20-17(13-16)7-11-21(24)23(20)26/h4-5,7-9,11-12,16H,2-3,6,10,13H2,1H3.
What are the key properties of 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene?
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene has a molecular weight of 354.42 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene is sourced from PubChem (CID 139849743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).