(4,4-difluoro-1,1-dioxothian-3-yl)methanamine

C6H11F2NO2S — CID 84775227

IUPAC(4,4-difluoro-1,1-dioxothian-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CCC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5H,1-4,9H2
InChIKeyJFFMAJTUUGAICG-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.02
Rot. Bonds1

About (4,4-difluoro-1,1-dioxothian-3-yl)methanamine

(4,4-difluoro-1,1-dioxothian-3-yl)methanamine (PubChem CID 84775227) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is (4,4-difluoro-1,1-dioxothian-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1,1-dioxothian-3-yl)methanamine
PubChem CID84775227
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name(4,4-difluoro-1,1-dioxothian-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CCC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5H,1-4,9H2
InChIKeyJFFMAJTUUGAICG-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
3-(Aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 84669194
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
1,1-Dioxo-3-(trifluoromethyl)thian-3-amine
CID 63924461
3-(Difluoromethyl)-1,1-dioxothian-3-amine
CID 80605728
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,1-dioxothian-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-1,1-dioxothian-3-yl)methanamine (CID 84775227) is (4,4-difluoro-1,1-dioxothian-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-1,1-dioxothian-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-1,1-dioxothian-3-yl)methanamine is NCC1CS(=O)(=O)CCC1(F)F.
What is the InChIKey of (4,4-difluoro-1,1-dioxothian-3-yl)methanamine?
The InChIKey is JFFMAJTUUGAICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5H,1-4,9H2.
What are the key properties of (4,4-difluoro-1,1-dioxothian-3-yl)methanamine?
(4,4-difluoro-1,1-dioxothian-3-yl)methanamine has a molecular weight of 199.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,1-dioxothian-3-yl)methanamine is sourced from PubChem (CID 84775227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).