4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H11ClFNO2 — CID 84685212

IUPAC4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1c(O)ccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO2/c1-12-4-7(14)8-6(13)3-2-5(10)9(8)11/h2-3,7,12-14H,4H2,1H3
InChIKeyLTGYVVJZMCZSAH-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.44
Rot. Bonds3

About 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol

4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 84685212) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID84685212
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1c(O)ccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO2/c1-12-4-7(14)8-6(13)3-2-5(10)9(8)11/h2-3,7,12-14H,4H2,1H3
InChIKeyLTGYVVJZMCZSAH-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
CID 67042709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 84685212) is 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1c(O)ccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is LTGYVVJZMCZSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-12-4-7(14)8-6(13)3-2-5(10)9(8)11/h2-3,7,12-14H,4H2,1H3.
What are the key properties of 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 219.64 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84685212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).