N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one

C12H19F3N2O — CID 177207116

IUPACN-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCCNCC.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C6H15N/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-5-6-7-4-2/h1-3H,(H,10,11);7H,3-6H2,1-2H3
InChIKeyFZHSUQHNANSWND-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.79
Rot. Bonds4

About N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one

N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 177207116) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound NameN-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID177207116
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCCCNCC.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C6H15N/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-5-6-7-4-2/h1-3H,(H,10,11);7H,3-6H2,1-2H3
InChIKeyFZHSUQHNANSWND-UHFFFAOYSA-N
XLogP2.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.79
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-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one (CID 177207116) is N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one is CCCCNCC.O=c1cccc(C(F)(F)F)[nH]1.
What is the InChIKey of N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FZHSUQHNANSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C6H15N/c7-6(8,9)4-2-1-3-5(11)10-4;1-3-5-6-7-4-2/h1-3H,(H,10,11);7H,3-6H2,1-2H3.
What are the key properties of N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one?
N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 264.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 177207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).