5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one

C14H16F3NO — CID 116610449

IUPAC5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)8-2-7-13(19)11-4-1-6-12-10(11)5-3-9-18-12/h1,4,6,18H,2-3,5,7-9H2
InChIKeyAAVLTZNNDKIHQQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.96
Rot. Bonds4

About 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one

5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one (PubChem CID 116610449) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one
PubChem CID116610449
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)8-2-7-13(19)11-4-1-6-12-10(11)5-3-9-18-12/h1,4,6,18H,2-3,5,7-9H2
InChIKeyAAVLTZNNDKIHQQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one (CID 116610449) is 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one is O=C(CCCC(F)(F)F)c1cccc2c1CCCN2.
What is the InChIKey of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one?
The InChIKey is AAVLTZNNDKIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)8-2-7-13(19)11-4-1-6-12-10(11)5-3-9-18-12/h1,4,6,18H,2-3,5,7-9H2.
What are the key properties of 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one?
5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one has a molecular weight of 271.28 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1,2,3,4-tetrahydroquinolin-5-yl)pentan-1-one is sourced from PubChem (CID 116610449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).