3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine

C5H11ClFNO2S — CID 54151634

IUPAC3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine
SMILESO=S(=O)(CCCl)CCCNF
InChIInChI=1S/C5H11ClFNO2S/c6-2-5-11(9,10)4-1-3-8-7/h8H,1-5H2
InChIKeyOIDLTKICYXPEQR-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.50
Rot. Bonds6

About 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine

3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine (PubChem CID 54151634) has the molecular formula C5H11ClFNO2S and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine
PubChem CID54151634
Molecular FormulaC5H11ClFNO2S
Molecular Weight203.67 g/mol
Exact Mass203.02
IUPAC Name3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine
SMILESO=S(=O)(CCCl)CCCNF
InChIInChI=1S/C5H11ClFNO2S/c6-2-5-11(9,10)4-1-3-8-7/h8H,1-5H2
InChIKeyOIDLTKICYXPEQR-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine?
The IUPAC name of 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine (CID 54151634) is 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine.
What is the SMILES notation for 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine?
The canonical SMILES for 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine is O=S(=O)(CCCl)CCCNF.
What is the InChIKey of 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine?
The InChIKey is OIDLTKICYXPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClFNO2S/c6-2-5-11(9,10)4-1-3-8-7/h8H,1-5H2.
What are the key properties of 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine?
3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine has a molecular weight of 203.67 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethylsulfonyl)-N-fluoropropan-1-amine is sourced from PubChem (CID 54151634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).