2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol

C14H12ClF2NO — CID 104584071

IUPAC2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cc1O
InChIInChI=1S/C14H12ClF2NO/c1-8(13-3-2-10(16)7-14(13)19)18-12-5-9(15)4-11(17)6-12/h2-8,18-19H,1H3
InChIKeyQONYYGCMDOKMHM-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.50
Rot. Bonds3

About 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol

2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol (PubChem CID 104584071) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
PubChem CID104584071
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cc1O
InChIInChI=1S/C14H12ClF2NO/c1-8(13-3-2-10(16)7-14(13)19)18-12-5-9(15)4-11(17)6-12/h2-8,18-19H,1H3
InChIKeyQONYYGCMDOKMHM-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.50
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-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-fluorophenol
CID 104726068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol (CID 104584071) is 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol is CC(Nc1cc(F)cc(Cl)c1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol?
The InChIKey is QONYYGCMDOKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-8(13-3-2-10(16)7-14(13)19)18-12-5-9(15)4-11(17)6-12/h2-8,18-19H,1H3.
What are the key properties of 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol?
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol has a molecular weight of 283.71 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol is sourced from PubChem (CID 104584071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).