1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone

C15H17F2NO — CID 142910327

IUPAC1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone
SMILESCCC(F)(F)C1=CC2NC=C(C(C)=O)C(C)=C2C=C1
InChIInChI=1S/C15H17F2NO/c1-4-15(16,17)11-5-6-12-9(2)13(10(3)19)8-18-14(12)7-11/h5-8,14,18H,4H2,1-3H3
InChIKeyRWYTYPRZAHASQB-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.29
Rot. Bonds3

About 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone

1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone (PubChem CID 142910327) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone
PubChem CID142910327
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone
SMILESCCC(F)(F)C1=CC2NC=C(C(C)=O)C(C)=C2C=C1
InChIInChI=1S/C15H17F2NO/c1-4-15(16,17)11-5-6-12-9(2)13(10(3)19)8-18-14(12)7-11/h5-8,14,18H,4H2,1-3H3
InChIKeyRWYTYPRZAHASQB-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone?
The IUPAC name of 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone (CID 142910327) is 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone?
The canonical SMILES for 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone is CCC(F)(F)C1=CC2NC=C(C(C)=O)C(C)=C2C=C1.
What is the InChIKey of 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone?
The InChIKey is RWYTYPRZAHASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-4-15(16,17)11-5-6-12-9(2)13(10(3)19)8-18-14(12)7-11/h5-8,14,18H,4H2,1-3H3.
What are the key properties of 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone?
1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone has a molecular weight of 265.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1,1-difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone is sourced from PubChem (CID 142910327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).