2,6-difluoro-N-propylaniline

C9H11F2N — CID 21161523

IUPAC2,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cccc1F
InChIInChI=1S/C9H11F2N/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyPUMIFLRHSRJEKZ-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.79
Rot. Bonds3

About 2,6-difluoro-N-propylaniline

2,6-difluoro-N-propylaniline (PubChem CID 21161523) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 2,6-difluoro-N-propylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-propylaniline
PubChem CID21161523
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name2,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cccc1F
InChIInChI=1S/C9H11F2N/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyPUMIFLRHSRJEKZ-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,6-difluoroaniline
CID 23270171
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-propylaniline?
The IUPAC name of 2,6-difluoro-N-propylaniline (CID 21161523) is 2,6-difluoro-N-propylaniline.
What is the SMILES notation for 2,6-difluoro-N-propylaniline?
The canonical SMILES for 2,6-difluoro-N-propylaniline is CCCNc1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-propylaniline?
The InChIKey is PUMIFLRHSRJEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3.
What are the key properties of 2,6-difluoro-N-propylaniline?
2,6-difluoro-N-propylaniline has a molecular weight of 171.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-propylaniline is sourced from PubChem (CID 21161523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).