N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C14H13F6NO2 — CID 91741509

IUPACN-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCCCc1ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H13F6NO2/c1-2-3-4-9-5-7-10(8-6-9)21(11(22)13(15,16)17)12(23)14(18,19)20/h5-8H,2-4H2,1H3
InChIKeyFFQLQHFMULANAR-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.01
Rot. Bonds4

About N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 91741509) has the molecular formula C14H13F6NO2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID91741509
Molecular FormulaC14H13F6NO2
Molecular Weight341.25 g/mol
Exact Mass341.09
IUPAC NameN-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCCCCc1ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H13F6NO2/c1-2-3-4-9-5-7-10(8-6-9)21(11(22)13(15,16)17)12(23)14(18,19)20/h5-8H,2-4H2,1H3
InChIKeyFFQLQHFMULANAR-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-butylphenyl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 20503209
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
4-butyl-N,N-diethylbenzamide
CID 60675001
N-tert-butyl-N-(4-butylphenyl)hydroxylamine
CID 165347149
2-bromo-2,2-difluoro-1-(4-pentylphenyl)ethanone
CID 146007782
N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide
CID 58250843
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 91741509) is N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is CCCCc1ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is FFQLQHFMULANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO2/c1-2-3-4-9-5-7-10(8-6-9)21(11(22)13(15,16)17)12(23)14(18,19)20/h5-8H,2-4H2,1H3.
What are the key properties of N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 91741509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).