1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one

C10H11ClFNO2 — CID 116826787

IUPAC1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-13-5-9(14)10(15)6-2-3-8(12)7(11)4-6/h2-4,9,13-14H,5H2,1H3
InChIKeyJZLDECTYJVOYRS-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.24
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one

1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one (PubChem CID 116826787) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
PubChem CID116826787
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-13-5-9(14)10(15)6-2-3-8(12)7(11)4-6/h2-4,9,13-14H,5H2,1H3
InChIKeyJZLDECTYJVOYRS-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826788
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826851
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanone
CID 82474239
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
2-(3-chloro-4-fluorobenzoyl)pentanenitrile
CID 82875503
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826728

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one (CID 116826787) is 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one is CNCC(O)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The InChIKey is JZLDECTYJVOYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13-5-9(14)10(15)6-2-3-8(12)7(11)4-6/h2-4,9,13-14H,5H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one has a molecular weight of 231.65 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).