1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C19H18F3NO — CID 161118332

IUPAC1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNC1CCc2cc(C(=O)Cc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)16-6-1-12(2-7-16)9-18(24)15-4-3-14-11-17(23)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,23H2
InChIKeyUKPRRFNWMQANEX-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.95
Rot. Bonds3

About 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 161118332) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID161118332
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESNC1CCc2cc(C(=O)Cc3ccc(C(F)(F)F)cc3)ccc2C1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)16-6-1-12(2-7-16)9-18(24)15-4-3-14-11-17(23)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,23H2
InChIKeyUKPRRFNWMQANEX-UHFFFAOYSA-N
XLogP3.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 161118332) is 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is NC1CCc2cc(C(=O)Cc3ccc(C(F)(F)F)cc3)ccc2C1.
What is the InChIKey of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UKPRRFNWMQANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c20-19(21,22)16-6-1-12(2-7-16)9-18(24)15-4-3-14-11-17(23)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,23H2.
What are the key properties of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 333.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).