N-ethyl-2,6-difluoroaniline

C8H9F2N — CID 23270171

IUPACN-ethyl-2,6-difluoroaniline
SMILESCCNc1c(F)cccc1F
InChIInChI=1S/C8H9F2N/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyAGBOLUHHTNPORL-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.40
Rot. Bonds2

About N-ethyl-2,6-difluoroaniline

N-ethyl-2,6-difluoroaniline (PubChem CID 23270171) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound NameN-ethyl-2,6-difluoroaniline
PubChem CID23270171
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC NameN-ethyl-2,6-difluoroaniline
SMILESCCNc1c(F)cccc1F
InChIInChI=1S/C8H9F2N/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyAGBOLUHHTNPORL-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-propylaniline
CID 21161523
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62649344
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-difluoroaniline?
The IUPAC name of N-ethyl-2,6-difluoroaniline (CID 23270171) is N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for N-ethyl-2,6-difluoroaniline?
The canonical SMILES for N-ethyl-2,6-difluoroaniline is CCNc1c(F)cccc1F.
What is the InChIKey of N-ethyl-2,6-difluoroaniline?
The InChIKey is AGBOLUHHTNPORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of N-ethyl-2,6-difluoroaniline?
N-ethyl-2,6-difluoroaniline has a molecular weight of 157.16 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 23270171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).