1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one

C14H11F3O — CID 69366475

IUPAC1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
SMILESCC(=O)Cc1cccc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H11F3O/c1-9(18)8-10-4-2-6-12-11(10)5-3-7-13(12)14(15,16)17/h2-7H,8H2,1H3
InChIKeyBIBYMRBBARMINJ-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.99
Rot. Bonds2

About 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one

1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one (PubChem CID 69366475) has the molecular formula C14H11F3O and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
PubChem CID69366475
Molecular FormulaC14H11F3O
Molecular Weight252.23 g/mol
Exact Mass252.08
IUPAC Name1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
SMILESCC(=O)Cc1cccc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H11F3O/c1-9(18)8-10-4-2-6-12-11(10)5-3-7-13(12)14(15,16)17/h2-7H,8H2,1H3
InChIKeyBIBYMRBBARMINJ-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70254547
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
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2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one?
The IUPAC name of 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one (CID 69366475) is 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one.
What is the SMILES notation for 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one?
The canonical SMILES for 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one is CC(=O)Cc1cccc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one?
The InChIKey is BIBYMRBBARMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-9(18)8-10-4-2-6-12-11(10)5-3-7-13(12)14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one?
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one has a molecular weight of 252.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one is sourced from PubChem (CID 69366475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).