2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide

C18H23F6NO — CID 134917915

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H23F6NO/c1-3-5-9-25(10-6-4-2)16(26)11-13-7-8-14(17(19,20)21)12-15(13)18(22,23)24/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyQCRFOVVHCAISJZ-UHFFFAOYSA-N
MW383.38 g/mol
LogP5.70
Rot. Bonds8

About 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide

2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide (PubChem CID 134917915) has the molecular formula C18H23F6NO and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide
PubChem CID134917915
Molecular FormulaC18H23F6NO
Molecular Weight383.38 g/mol
Exact Mass383.17
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C18H23F6NO/c1-3-5-9-25(10-6-4-2)16(26)11-13-7-8-14(17(19,20)21)12-15(13)18(22,23)24/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyQCRFOVVHCAISJZ-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.38
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide (CID 134917915) is 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide?
The InChIKey is QCRFOVVHCAISJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F6NO/c1-3-5-9-25(10-6-4-2)16(26)11-13-7-8-14(17(19,20)21)12-15(13)18(22,23)24/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide?
2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide has a molecular weight of 383.38 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-dibutylacetamide is sourced from PubChem (CID 134917915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).