3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline

C14H10Cl2F3N — CID 107572509

IUPAC3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H10Cl2F3N/c1-7(13-11(17)3-2-4-12(13)18)20-8-5-9(15)14(19)10(16)6-8/h2-7,20H,1H3
InChIKeyQOIRMFHQMRRSOX-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.58
Rot. Bonds3

About 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline

3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline (PubChem CID 107572509) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
PubChem CID107572509
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C14H10Cl2F3N/c1-7(13-11(17)3-2-4-12(13)18)20-8-5-9(15)14(19)10(16)6-8/h2-7,20H,1H3
InChIKeyQOIRMFHQMRRSOX-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[1-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 43686857
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
3,5-dichloro-4-fluoro-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 107572520
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
CID 107679459
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
2-chloro-4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]benzonitrile
CID 115658366

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline (CID 107572509) is 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline is CC(Nc1cc(Cl)c(F)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline?
The InChIKey is QOIRMFHQMRRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c1-7(13-11(17)3-2-4-12(13)18)20-8-5-9(15)14(19)10(16)6-8/h2-7,20H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline?
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline has a molecular weight of 320.14 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 107572509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).