3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one

C10H12FNOS — CID 84782848

IUPAC3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(=O)CCN)c(F)c1
InChIInChI=1S/C10H12FNOS/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKeySYVLKUUZZMYZOQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one

3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one (PubChem CID 84782848) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one
PubChem CID84782848
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(=O)CCN)c(F)c1
InChIInChI=1S/C10H12FNOS/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKeySYVLKUUZZMYZOQ-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one (CID 84782848) is 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one is CSc1ccc(C(=O)CCN)c(F)c1.
What is the InChIKey of 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one?
The InChIKey is SYVLKUUZZMYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-14-7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one?
3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 84782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).