N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline

C10H12FNOS — CID 123941775

IUPACN-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline
SMILESCS(=O)c1ccccc1NCC=CF
InChIInChI=1S/C10H12FNOS/c1-14(13)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3
InChIKeyCPIBGZDVUGUOPK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.32
Rot. Bonds4

About N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline

N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline (PubChem CID 123941775) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline.

Molecular Properties

Compound NameN-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline
PubChem CID123941775
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline
SMILESCS(=O)c1ccccc1NCC=CF
InChIInChI=1S/C10H12FNOS/c1-14(13)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3
InChIKeyCPIBGZDVUGUOPK-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline?
The IUPAC name of N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline (CID 123941775) is N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline.
What is the SMILES notation for N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline?
The canonical SMILES for N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline is CS(=O)c1ccccc1NCC=CF.
What is the InChIKey of N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline?
The InChIKey is CPIBGZDVUGUOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-14(13)10-6-3-2-5-9(10)12-8-4-7-11/h2-7,12H,8H2,1H3.
What are the key properties of N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline?
N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline has a molecular weight of 213.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-2-enyl)-2-methylsulfinylaniline is sourced from PubChem (CID 123941775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).