4-tert-butylsulfonyl-2-fluorobutan-1-amine

C8H18FNO2S — CID 106735893

IUPAC4-tert-butylsulfonyl-2-fluorobutan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC(F)CN
InChIInChI=1S/C8H18FNO2S/c1-8(2,3)13(11,12)5-4-7(9)6-10/h7H,4-6,10H2,1-3H3
InChIKeyOYWCMIDWSAHTQH-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.89
Rot. Bonds4

About 4-tert-butylsulfonyl-2-fluorobutan-1-amine

4-tert-butylsulfonyl-2-fluorobutan-1-amine (PubChem CID 106735893) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-2-fluorobutan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-2-fluorobutan-1-amine
PubChem CID106735893
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name4-tert-butylsulfonyl-2-fluorobutan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC(F)CN
InChIInChI=1S/C8H18FNO2S/c1-8(2,3)13(11,12)5-4-7(9)6-10/h7H,4-6,10H2,1-3H3
InChIKeyOYWCMIDWSAHTQH-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-2-fluorobutan-1-amine?
The IUPAC name of 4-tert-butylsulfonyl-2-fluorobutan-1-amine (CID 106735893) is 4-tert-butylsulfonyl-2-fluorobutan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonyl-2-fluorobutan-1-amine?
The canonical SMILES for 4-tert-butylsulfonyl-2-fluorobutan-1-amine is CC(C)(C)S(=O)(=O)CCC(F)CN.
What is the InChIKey of 4-tert-butylsulfonyl-2-fluorobutan-1-amine?
The InChIKey is OYWCMIDWSAHTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-8(2,3)13(11,12)5-4-7(9)6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 4-tert-butylsulfonyl-2-fluorobutan-1-amine?
4-tert-butylsulfonyl-2-fluorobutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-2-fluorobutan-1-amine is sourced from PubChem (CID 106735893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).