2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol

C14H11Cl2F2NO — CID 83077307

IUPAC2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1cc(F)ccc1O
InChIInChI=1S/C14H11Cl2F2NO/c1-7(10-4-8(17)2-3-13(10)20)19-14-11(15)5-9(18)6-12(14)16/h2-7,19-20H,1H3
InChIKeyCGUVRRVOZOCNLO-UHFFFAOYSA-N
MW318.15 g/mol
LogP5.15
Rot. Bonds3

About 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol

2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol (PubChem CID 83077307) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
PubChem CID83077307
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
SMILESCC(Nc1c(Cl)cc(F)cc1Cl)c1cc(F)ccc1O
InChIInChI=1S/C14H11Cl2F2NO/c1-7(10-4-8(17)2-3-13(10)20)19-14-11(15)5-9(18)6-12(14)16/h2-7,19-20H,1H3
InChIKeyCGUVRRVOZOCNLO-UHFFFAOYSA-N
XLogP5.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.15
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-4-methylphenol
CID 107610158
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
2-[1-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041
2-[1-(4-chloro-3-methoxyanilino)ethyl]-4-fluorophenol
CID 107270535
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
2-[1-(2-chloro-4,6-difluoroanilino)ethyl]-5-methylphenol
CID 83081884
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-5-methylphenol
CID 107610722
2-[1-(4-fluoro-2-methylanilino)ethyl]benzene-1,4-diol
CID 43195958
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol (CID 83077307) is 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol is CC(Nc1c(Cl)cc(F)cc1Cl)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol?
The InChIKey is CGUVRRVOZOCNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c1-7(10-4-8(17)2-3-13(10)20)19-14-11(15)5-9(18)6-12(14)16/h2-7,19-20H,1H3.
What are the key properties of 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol?
2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol has a molecular weight of 318.15 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol is sourced from PubChem (CID 83077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).