propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate

C10H11ClFNO2S — CID 22073076

IUPACpropan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate
SMILESCC(C)OC(=O)Sc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2S/c1-5(2)15-10(14)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3
InChIKeyQCBYGWLGJHHEOW-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.70
Rot. Bonds2

About propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate

propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate (PubChem CID 22073076) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate.

Molecular Properties

Compound Namepropan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate
PubChem CID22073076
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Namepropan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate
SMILESCC(C)OC(=O)Sc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2S/c1-5(2)15-10(14)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3
InChIKeyQCBYGWLGJHHEOW-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate?
The IUPAC name of propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate (CID 22073076) is propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate.
What is the SMILES notation for propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate?
The canonical SMILES for propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate is CC(C)OC(=O)Sc1cc(N)c(F)cc1Cl.
What is the InChIKey of propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate?
The InChIKey is QCBYGWLGJHHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c1-5(2)15-10(14)16-9-4-8(13)7(12)3-6(9)11/h3-5H,13H2,1-2H3.
What are the key properties of propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate?
propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate has a molecular weight of 263.72 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (5-amino-2-chloro-4-fluorophenyl)sulfanylformate is sourced from PubChem (CID 22073076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).