N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline

C14H11F4N — CID 43192585

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
SMILESCC(Nc1cc(F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H11F4N/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3
InChIKeyJFNNJMMZPDHOEU-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline

N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline (PubChem CID 43192585) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
PubChem CID43192585
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
SMILESCC(Nc1cc(F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C14H11F4N/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3
InChIKeyJFNNJMMZPDHOEU-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
2,5-difluoro-N-(3-methylbutan-2-yl)aniline
CID 43192572
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline (CID 43192585) is N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline is CC(Nc1cc(F)ccc1F)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline?
The InChIKey is JFNNJMMZPDHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline?
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline has a molecular weight of 269.24 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline is sourced from PubChem (CID 43192585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).