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

C14H12Cl2FNO — CID 107714548

IUPAC4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-8(11-4-3-10(19)7-14(11)17)18-9-2-5-12(15)13(16)6-9/h2-8,18-19H,1H3
InChIKeyDERBQSRBXFLWFA-UHFFFAOYSA-N
MW300.16 g/mol
LogP5.01
Rot. Bonds3

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

4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol (PubChem CID 107714548) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
PubChem CID107714548
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-8(11-4-3-10(19)7-14(11)17)18-9-2-5-12(15)13(16)6-9/h2-8,18-19H,1H3
InChIKeyDERBQSRBXFLWFA-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

4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391
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
4-[1-(3-bromo-4-methoxyanilino)ethyl]-3-fluorophenol
CID 107715209
4-[1-(4-bromo-3-methoxyanilino)ethyl]-3-fluorophenol
CID 107715362
4-[1-[(5-chloro-1,3-benzothiazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107714756
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol (CID 107714548) is 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol is CC(Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol?
The InChIKey is DERBQSRBXFLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(11-4-3-10(19)7-14(11)17)18-9-2-5-12(15)13(16)6-9/h2-8,18-19H,1H3.
What are the key properties of 4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol?
4-[1-(3,4-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-(3,4-dichloroanilino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107714548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).