4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol

C14H12Cl2FNO — CID 107714542

IUPAC4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-8(13-3-2-12(19)7-14(13)17)18-11-5-9(15)4-10(16)6-11/h2-8,18-19H,1H3
InChIKeyKDYJXNHCUCHFGV-UHFFFAOYSA-N
MW300.16 g/mol
LogP5.01
Rot. Bonds3

About 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol

4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol (PubChem CID 107714542) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
PubChem CID107714542
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-8(13-3-2-12(19)7-14(13)17)18-11-5-9(15)4-10(16)6-11/h2-8,18-19H,1H3
InChIKeyKDYJXNHCUCHFGV-UHFFFAOYSA-N
XLogP5.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.16
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol (CID 107714542) is 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol?
The InChIKey is KDYJXNHCUCHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(13-3-2-12(19)7-14(13)17)18-11-5-9(15)4-10(16)6-11/h2-8,18-19H,1H3.
What are the key properties of 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol?
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol has a molecular weight of 300.16 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107714542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).