3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one

C9H9ClFNO2 — CID 84785700

IUPAC3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one
SMILESNCCC(=O)c1cc(O)c(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c10-6-3-5(7(13)1-2-12)4-8(14)9(6)11/h3-4,14H,1-2,12H2
InChIKeyQNVRDJYTRXSIRE-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.72
Rot. Bonds3

About 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one

3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one (PubChem CID 84785700) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one
PubChem CID84785700
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one
SMILESNCCC(=O)c1cc(O)c(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c10-6-3-5(7(13)1-2-12)4-8(14)9(6)11/h3-4,14H,1-2,12H2
InChIKeyQNVRDJYTRXSIRE-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
CID 117331420
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
3-amino-1-(3,5-diaminophenyl)propan-1-one
CID 138650359
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one
CID 117325981
3-chloro-2,5-difluorophenol
CID 84651989
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
3-chloro-4,5-difluorobenzoyl fluoride
CID 19850493

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one (CID 84785700) is 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one is NCCC(=O)c1cc(O)c(F)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one?
The InChIKey is QNVRDJYTRXSIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-6-3-5(7(13)1-2-12)4-8(14)9(6)11/h3-4,14H,1-2,12H2.
What are the key properties of 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one?
3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one has a molecular weight of 217.63 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 84785700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).