6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one

C12H13F2NO — CID 116841256

IUPAC6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(F)(F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13F2NO/c1-2-12(13,14)9-4-5-10-8(7-9)3-6-11(16)15-10/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChIKeyIOGUWHWCNTYWEH-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.07
Rot. Bonds2

About 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one

6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116841256) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116841256
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(F)(F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H13F2NO/c1-2-12(13,14)9-4-5-10-8(7-9)3-6-11(16)15-10/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChIKeyIOGUWHWCNTYWEH-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
6-(1,1-difluoropropyl)-4H-1,4-benzothiazin-3-one
CID 116841301
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one (CID 116841256) is 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one is CCC(F)(F)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IOGUWHWCNTYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-2-12(13,14)9-4-5-10-8(7-9)3-6-11(16)15-10/h4-5,7H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 225.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116841256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).