5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H17F3N2O — CID 103779469

IUPAC5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(CC(F)(F)F)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(7-13(14,15)16)17-10-3-2-4-11-9(10)5-6-12(19)18-11/h5-6,8,10,17H,2-4,7H2,1H3,(H,18,19)
InChIKeyYHMLWGGDEKPMLM-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.68
Rot. Bonds3

About 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103779469) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103779469
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(CC(F)(F)F)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H17F3N2O/c1-8(7-13(14,15)16)17-10-3-2-4-11-9(10)5-6-12(19)18-11/h5-6,8,10,17H,2-4,7H2,1H3,(H,18,19)
InChIKeyYHMLWGGDEKPMLM-UHFFFAOYSA-N
XLogP2.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103779469) is 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(CC(F)(F)F)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is YHMLWGGDEKPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(7-13(14,15)16)17-10-3-2-4-11-9(10)5-6-12(19)18-11/h5-6,8,10,17H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103779469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).