2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid

C13H9F3O3 — CID 118819095

IUPAC2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C13H9F3O3/c14-13(15,16)19-10-6-2-4-8-3-1-5-9(12(8)10)7-11(17)18/h1-6H,7H2,(H,17,18)
InChIKeyIWTJYYTYFOSWOW-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.37
Rot. Bonds3

About 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid

2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid (PubChem CID 118819095) has the molecular formula C13H9F3O3 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
PubChem CID118819095
Molecular FormulaC13H9F3O3
Molecular Weight270.21 g/mol
Exact Mass270.05
IUPAC Name2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C13H9F3O3/c14-13(15,16)19-10-6-2-4-8-3-1-5-9(12(8)10)7-11(17)18/h1-6H,7H2,(H,17,18)
InChIKeyIWTJYYTYFOSWOW-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
ethane;1-methyl-8-(trifluoromethoxy)naphthalene
CID 156747835
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
2-[6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119023721
3-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanoic acid
CID 134621107
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 133089281

Frequently Asked Questions

What is the IUPAC name of 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid?
The IUPAC name of 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid (CID 118819095) is 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid is O=C(O)Cc1cccc2cccc(OC(F)(F)F)c12.
What is the InChIKey of 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid?
The InChIKey is IWTJYYTYFOSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3/c14-13(15,16)19-10-6-2-4-8-3-1-5-9(12(8)10)7-11(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid?
2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid has a molecular weight of 270.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid is sourced from PubChem (CID 118819095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).