2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene

C30H29F — CID 143747673

IUPAC2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene
SMILESCC(c1ccc2ccccc2c1)c1cccc2c1CCC(CCc1ccccc1F)C2
InChIInChI=1S/C30H29F/c1-21(25-17-16-23-7-2-3-9-26(23)20-25)28-11-6-10-27-19-22(14-18-29(27)28)13-15-24-8-4-5-12-30(24)31/h2-12,16-17,20-22H,13-15,18-19H2,1H3
InChIKeyBTWIIMIOUICTFT-UHFFFAOYSA-N
MW408.56 g/mol
LogP7.87
Rot. Bonds5

About 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene

2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene (PubChem CID 143747673) has the molecular formula C30H29F and a molecular weight of 408.56 g/mol. Its IUPAC name is 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene
PubChem CID143747673
Molecular FormulaC30H29F
Molecular Weight408.56 g/mol
Exact Mass408.23
IUPAC Name2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene
SMILESCC(c1ccc2ccccc2c1)c1cccc2c1CCC(CCc1ccccc1F)C2
InChIInChI=1S/C30H29F/c1-21(25-17-16-23-7-2-3-9-26(23)20-25)28-11-6-10-27-19-22(14-18-29(27)28)13-15-24-8-4-5-12-30(24)31/h2-12,16-17,20-22H,13-15,18-19H2,1H3
InChIKeyBTWIIMIOUICTFT-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene?
The IUPAC name of 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene (CID 143747673) is 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene.
What is the SMILES notation for 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene?
The canonical SMILES for 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene is CC(c1ccc2ccccc2c1)c1cccc2c1CCC(CCc1ccccc1F)C2.
What is the InChIKey of 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene?
The InChIKey is BTWIIMIOUICTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F/c1-21(25-17-16-23-7-2-3-9-26(23)20-25)28-11-6-10-27-19-22(14-18-29(27)28)13-15-24-8-4-5-12-30(24)31/h2-12,16-17,20-22H,13-15,18-19H2,1H3.
What are the key properties of 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene?
2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene has a molecular weight of 408.56 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]naphthalene is sourced from PubChem (CID 143747673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).