2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene

C10H12FNO2S — CID 174686438

IUPAC2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene
SMILESCN(c1cccc(F)c1C1CC1)S(=O)O
InChIInChI=1S/C10H12FNO2S/c1-12(15(13)14)9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyGUICGQGJPPWRQB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds3

About 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene

2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene (PubChem CID 174686438) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene.

Molecular Properties

Compound Name2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene
PubChem CID174686438
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene
SMILESCN(c1cccc(F)c1C1CC1)S(=O)O
InChIInChI=1S/C10H12FNO2S/c1-12(15(13)14)9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyGUICGQGJPPWRQB-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene?
The IUPAC name of 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene (CID 174686438) is 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene.
What is the SMILES notation for 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene?
The canonical SMILES for 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene is CN(c1cccc(F)c1C1CC1)S(=O)O.
What is the InChIKey of 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene?
The InChIKey is GUICGQGJPPWRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-12(15(13)14)9-4-2-3-8(11)10(9)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene?
2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene has a molecular weight of 229.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-fluoro-3-[methyl(sulfino)amino]benzene is sourced from PubChem (CID 174686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).