6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one

C17H13F3O2 — CID 169410326

IUPAC6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C17H13F3O2/c18-17(19,20)22-16-7-2-1-5-14(16)12-8-9-13-11(10-12)4-3-6-15(13)21/h1-2,5,7-10H,3-4,6H2
InChIKeyAKQLKNQBUIKPTI-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.77
Rot. Bonds2

About 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one

6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 169410326) has the molecular formula C17H13F3O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID169410326
Molecular FormulaC17H13F3O2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C17H13F3O2/c18-17(19,20)22-16-7-2-1-5-14(16)12-8-9-13-11(10-12)4-3-6-15(13)21/h1-2,5,7-10H,3-4,6H2
InChIKeyAKQLKNQBUIKPTI-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
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1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
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1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-[5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 146286972
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
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4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one (CID 169410326) is 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(-c3ccccc3OC(F)(F)F)ccc21.
What is the InChIKey of 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AKQLKNQBUIKPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O2/c18-17(19,20)22-16-7-2-1-5-14(16)12-8-9-13-11(10-12)4-3-6-15(13)21/h1-2,5,7-10H,3-4,6H2.
What are the key properties of 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 306.28 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 169410326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).