2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid

C13H15F3O2 — CID 66707586

IUPAC2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
SMILESCCc1cc(C(F)(F)F)cc(CC)c1CC(=O)O
InChIInChI=1S/C13H15F3O2/c1-3-8-5-10(13(14,15)16)6-9(4-2)11(8)7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySRDNLYRBIDLMEF-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.46
Rot. Bonds4

About 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid

2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 66707586) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
PubChem CID66707586
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
SMILESCCc1cc(C(F)(F)F)cc(CC)c1CC(=O)O
InChIInChI=1S/C13H15F3O2/c1-3-8-5-10(13(14,15)16)6-9(4-2)11(8)7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySRDNLYRBIDLMEF-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid (CID 66707586) is 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid is CCc1cc(C(F)(F)F)cc(CC)c1CC(=O)O.
What is the InChIKey of 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is SRDNLYRBIDLMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-3-8-5-10(13(14,15)16)6-9(4-2)11(8)7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid?
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 66707586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).