4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol

C14H13ClFNO2 — CID 107693464

IUPAC4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
SMILESOCC(Nc1ccc(Cl)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13ClFNO2/c15-10-2-4-11(5-3-10)17-13(8-18)9-1-6-14(19)12(16)7-9/h1-7,13,17-19H,8H2
InChIKeyJPHSGLBPVHLFFQ-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.33
Rot. Bonds4

About 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol

4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol (PubChem CID 107693464) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
PubChem CID107693464
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
SMILESOCC(Nc1ccc(Cl)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13ClFNO2/c15-10-2-4-11(5-3-10)17-13(8-18)9-1-6-14(19)12(16)7-9/h1-7,13,17-19H,8H2
InChIKeyJPHSGLBPVHLFFQ-UHFFFAOYSA-N
XLogP3.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
CID 62122602
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 81440633
2-fluoro-4-[2-hydroxy-1-(2-methoxyethylamino)ethyl]phenol
CID 107693476
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903
4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693456
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol?
The IUPAC name of 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol (CID 107693464) is 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol.
What is the SMILES notation for 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol?
The canonical SMILES for 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol is OCC(Nc1ccc(Cl)cc1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol?
The InChIKey is JPHSGLBPVHLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c15-10-2-4-11(5-3-10)17-13(8-18)9-1-6-14(19)12(16)7-9/h1-7,13,17-19H,8H2.
What are the key properties of 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol?
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol has a molecular weight of 281.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol is sourced from PubChem (CID 107693464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).