propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate

C11H14FNO2S — CID 43303372

IUPACpropan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1ccc(N)cc1F
InChIInChI=1S/C11H14FNO2S/c1-7(2)15-11(14)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeyIBUQDNZRBNWJQV-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.45
Rot. Bonds4

About propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate

propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate (PubChem CID 43303372) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
PubChem CID43303372
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Namepropan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
SMILESCC(C)OC(=O)CSc1ccc(N)cc1F
InChIInChI=1S/C11H14FNO2S/c1-7(2)15-11(14)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeyIBUQDNZRBNWJQV-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 43303642
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
2-(4-amino-2-fluorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 43303794
2-(4-amino-2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 43303800
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
3-fluoro-4-(methoxymethylsulfanyl)aniline
CID 65364452
1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63931345
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733
4-(2-aminoethylsulfanyl)-3-fluoroaniline
CID 61320399
methyl 4-(4-amino-2-fluorophenyl)sulfanyl-2-ethylbut-2-enoate
CID 77101153
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 60962249

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate (CID 43303372) is propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate is CC(C)OC(=O)CSc1ccc(N)cc1F.
What is the InChIKey of propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate?
The InChIKey is IBUQDNZRBNWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-7(2)15-11(14)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate?
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate has a molecular weight of 243.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 43303372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).