2-(2-fluoroethylsulfinyl)propan-1-amine

C5H12FNOS — CID 81187703

IUPAC2-(2-fluoroethylsulfinyl)propan-1-amine
SMILESCC(CN)S(=O)CCF
InChIInChI=1S/C5H12FNOS/c1-5(4-7)9(8)3-2-6/h5H,2-4,7H2,1H3
InChIKeyRABHEGVRCNMFDP-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-fluoroethylsulfinyl)propan-1-amine

2-(2-fluoroethylsulfinyl)propan-1-amine (PubChem CID 81187703) has the molecular formula C5H12FNOS and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfinyl)propan-1-amine
PubChem CID81187703
Molecular FormulaC5H12FNOS
Molecular Weight153.22 g/mol
Exact Mass153.06
IUPAC Name2-(2-fluoroethylsulfinyl)propan-1-amine
SMILESCC(CN)S(=O)CCF
InChIInChI=1S/C5H12FNOS/c1-5(4-7)9(8)3-2-6/h5H,2-4,7H2,1H3
InChIKeyRABHEGVRCNMFDP-UHFFFAOYSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfinyl)propan-1-amine?
The IUPAC name of 2-(2-fluoroethylsulfinyl)propan-1-amine (CID 81187703) is 2-(2-fluoroethylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-(2-fluoroethylsulfinyl)propan-1-amine?
The canonical SMILES for 2-(2-fluoroethylsulfinyl)propan-1-amine is CC(CN)S(=O)CCF.
What is the InChIKey of 2-(2-fluoroethylsulfinyl)propan-1-amine?
The InChIKey is RABHEGVRCNMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNOS/c1-5(4-7)9(8)3-2-6/h5H,2-4,7H2,1H3.
What are the key properties of 2-(2-fluoroethylsulfinyl)propan-1-amine?
2-(2-fluoroethylsulfinyl)propan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfinyl)propan-1-amine is sourced from PubChem (CID 81187703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).