2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine

C8H18FNO2S — CID 112566738

IUPAC2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)C(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H18FNO2S/c1-7(2)8(9,6-10)4-5-13(3,11)12/h7H,4-6,10H2,1-3H3
InChIKeyQCJHOMBZPGTQFT-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.74
Rot. Bonds5

About 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine

2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 112566738) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine
PubChem CID112566738
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)C(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H18FNO2S/c1-7(2)8(9,6-10)4-5-13(3,11)12/h7H,4-6,10H2,1-3H3
InChIKeyQCJHOMBZPGTQFT-UHFFFAOYSA-N
XLogP0.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
2-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-amine
CID 105449124
2-(3-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449135
2-(1,1-Dioxothian-3-yl)-2-fluoropropan-1-amine
CID 105463172
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-1-amine
CID 105463174
3-(1,1-Dioxothiolan-3-yl)-2-fluoro-2-methylpropan-1-amine
CID 105463176
2-(3-Fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
CID 105463186
2-(4-Fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463187
2-(3-Fluoro-1,1-dioxothian-3-yl)propan-1-amine
CID 105463188
2-(1,1-Dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
3-(1,1-Dioxothian-3-yl)-3-fluorobutan-1-amine
CID 105480913
3-(1,1-Dioxothian-4-yl)-3-fluorobutan-1-amine
CID 105480916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine (CID 112566738) is 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine is CC(C)C(F)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is QCJHOMBZPGTQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-7(2)8(9,6-10)4-5-13(3,11)12/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine?
2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 112566738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).