2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine

C9H20FNO2S — CID 112566429

IUPAC2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C9H20FNO2S/c1-8(2,3)9(10,7-11)5-6-14(4,12)13/h5-7,11H2,1-4H3
InChIKeyGTIXDFOCMSCJMZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.13
Rot. Bonds4

About 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 112566429) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
PubChem CID112566429
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)CCS(C)(=O)=O
InChIInChI=1S/C9H20FNO2S/c1-8(2,3)9(10,7-11)5-6-14(4,12)13/h5-7,11H2,1-4H3
InChIKeyGTIXDFOCMSCJMZ-UHFFFAOYSA-N
XLogP1.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-Fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
CID 105449126
(3-Fluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
CID 105449128
2-(3-Fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
CID 105463186
2-(1,1-Dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
2-(4-Fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
CID 105480924
2-(3-Fluoro-1,1-dioxothian-3-yl)-2-methylpropan-1-amine
CID 105480925
2-Ethyl-2-fluoro-4-propylsulfonylbutan-1-amine
CID 106735937
4-Tert-butylsulfonyl-2-ethyl-2-fluorobutan-1-amine
CID 106735938
2-Ethyl-4-ethylsulfonyl-2-fluorobutan-1-amine
CID 106735939
2-Ethyl-2-fluoro-4-propan-2-ylsulfonylbutan-1-amine
CID 106735940
2-Fluoro-3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106735945
2-(2-Ethylsulfonylethyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 106735946

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine (CID 112566429) is 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine is CC(C)(C)C(F)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is GTIXDFOCMSCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-8(2,3)9(10,7-11)5-6-14(4,12)13/h5-7,11H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 112566429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).