1-(2-fluoroethylsulfonyl)propan-2-amine

C5H12FNO2S — CID 81189437

IUPAC1-(2-fluoroethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-5(7)4-10(8,9)3-2-6/h5H,2-4,7H2,1H3
InChIKeyPOBAWKHYCGYABK-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.28
Rot. Bonds4

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

1-(2-fluoroethylsulfonyl)propan-2-amine (PubChem CID 81189437) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluoroethylsulfonyl)propan-2-amine
PubChem CID81189437
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name1-(2-fluoroethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-5(7)4-10(8,9)3-2-6/h5H,2-4,7H2,1H3
InChIKeyPOBAWKHYCGYABK-UHFFFAOYSA-N
XLogP-0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfonyl)propan-2-amine?
The IUPAC name of 1-(2-fluoroethylsulfonyl)propan-2-amine (CID 81189437) is 1-(2-fluoroethylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluoroethylsulfonyl)propan-2-amine?
The canonical SMILES for 1-(2-fluoroethylsulfonyl)propan-2-amine is CC(N)CS(=O)(=O)CCF.
What is the InChIKey of 1-(2-fluoroethylsulfonyl)propan-2-amine?
The InChIKey is POBAWKHYCGYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(7)4-10(8,9)3-2-6/h5H,2-4,7H2,1H3.
What are the key properties of 1-(2-fluoroethylsulfonyl)propan-2-amine?
1-(2-fluoroethylsulfonyl)propan-2-amine has a molecular weight of 169.22 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81189437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).