2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

C19H18F3NO3 — CID 24986054

IUPAC2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc3c(c2)CCC[C@H]3CC(=O)O)n1
InChIInChI=1S/C19H18F3NO3/c1-11-7-14(19(20,21)22)10-17(23-11)26-15-5-6-16-12(8-15)3-2-4-13(16)9-18(24)25/h5-8,10,13H,2-4,9H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyABBHIUAHHQGUSX-ZDUSSCGKSA-N
MW365.35 g/mol
LogP5.10
Rot. Bonds4

About 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (PubChem CID 24986054) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
PubChem CID24986054
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc3c(c2)CCC[C@H]3CC(=O)O)n1
InChIInChI=1S/C19H18F3NO3/c1-11-7-14(19(20,21)22)10-17(23-11)26-15-5-6-16-12(8-15)3-2-4-13(16)9-18(24)25/h5-8,10,13H,2-4,9H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyABBHIUAHHQGUSX-ZDUSSCGKSA-N
XLogP5.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (CID 24986054) is 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is Cc1cc(C(F)(F)F)cc(Oc2ccc3c(c2)CCC[C@H]3CC(=O)O)n1.
What is the InChIKey of 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The InChIKey is ABBHIUAHHQGUSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-11-7-14(19(20,21)22)10-17(23-11)26-15-5-6-16-12(8-15)3-2-4-13(16)9-18(24)25/h5-8,10,13H,2-4,9H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid has a molecular weight of 365.35 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-6-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is sourced from PubChem (CID 24986054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).