3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide

C12H12F3NO2 — CID 143654538

IUPAC3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.O=C1CCCc2ccccc21
InChIInChI=1S/C10H10O.C2H2F3NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;3-2(4,5)1(6)7/h1-2,4,6H,3,5,7H2;(H2,6,7)
InChIKeyKFLWCSCUTWKVKQ-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.24
Rot. Bonds

About 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide

3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide (PubChem CID 143654538) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
PubChem CID143654538
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.O=C1CCCc2ccccc21
InChIInChI=1S/C10H10O.C2H2F3NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;3-2(4,5)1(6)7/h1-2,4,6H,3,5,7H2;(H2,6,7)
InChIKeyKFLWCSCUTWKVKQ-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide?
The IUPAC name of 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide (CID 143654538) is 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide.
What is the SMILES notation for 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide?
The canonical SMILES for 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide is NC(=O)C(F)(F)F.O=C1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide?
The InChIKey is KFLWCSCUTWKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C2H2F3NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;3-2(4,5)1(6)7/h1-2,4,6H,3,5,7H2;(H2,6,7).
What are the key properties of 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide?
3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide has a molecular weight of 259.23 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide is sourced from PubChem (CID 143654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).