N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide

C14H24F6N2O2 — CID 161373123

IUPACN-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)F.CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO.C6H10F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11;1-2-3-4-10-5(11)6(7,8)9/h2-6H2,1H3,(H,12,13);2-4H2,1H3,(H,10,11)
InChIKeyVQSNENZEBDCVCB-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.71
Rot. Bonds8

About N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide

N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide (PubChem CID 161373123) has the molecular formula C14H24F6N2O2 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide
PubChem CID161373123
Molecular FormulaC14H24F6N2O2
Molecular Weight366.35 g/mol
Exact Mass366.17
IUPAC NameN-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)F.CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO.C6H10F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11;1-2-3-4-10-5(11)6(7,8)9/h2-6H2,1H3,(H,12,13);2-4H2,1H3,(H,10,11)
InChIKeyVQSNENZEBDCVCB-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide?
The IUPAC name of N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide (CID 161373123) is N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide is CCCCCCNC(=O)C(F)(F)F.CCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide?
The InChIKey is VQSNENZEBDCVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.C6H10F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11;1-2-3-4-10-5(11)6(7,8)9/h2-6H2,1H3,(H,12,13);2-4H2,1H3,(H,10,11).
What are the key properties of N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide?
N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide has a molecular weight of 366.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoroacetamide;2,2,2-trifluoro-N-hexylacetamide is sourced from PubChem (CID 161373123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).