2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine

C8H18FNO2S — CID 106735939

IUPAC2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C8H18FNO2S/c1-3-8(9,7-10)5-6-13(11,12)4-2/h3-7,10H2,1-2H3
InChIKeyCTZIYMHUWHTQCX-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.89
Rot. Bonds6

About 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine

2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine (PubChem CID 106735939) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine
PubChem CID106735939
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine
SMILESCCC(F)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C8H18FNO2S/c1-3-8(9,7-10)5-6-13(11,12)4-2/h3-7,10H2,1-2H3
InChIKeyCTZIYMHUWHTQCX-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3-(Aminomethyl)-3-methanesulfonylpentane
CID 56828540
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
3-(3-Fluoropropylsulfonyl)butan-1-amine
CID 81195945
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
3-(2-Fluoro-2-methylpropyl)sulfonylpropan-1-amine
CID 84667801
2-(3-Fluoro-3-methylbutyl)sulfonylethanamine
CID 84667802
6-Ethylsulfonyl-3-fluorohexan-1-amine
CID 104277112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine?
The IUPAC name of 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine (CID 106735939) is 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine.
What is the SMILES notation for 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine?
The canonical SMILES for 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine is CCC(F)(CN)CCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine?
The InChIKey is CTZIYMHUWHTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-3-8(9,7-10)5-6-13(11,12)4-2/h3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine?
2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine is sourced from PubChem (CID 106735939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).