[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine

C7H14FNO2S — CID 84773584

IUPAC[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine
SMILESNCC1(CF)CCS(=O)(=O)CC1
InChIInChI=1S/C7H14FNO2S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h1-6,9H2
InChIKeyJJGLKDWHFBKSJW-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine

[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine (PubChem CID 84773584) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine
PubChem CID84773584
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine
SMILESNCC1(CF)CCS(=O)(=O)CC1
InChIInChI=1S/C7H14FNO2S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h1-6,9H2
InChIKeyJJGLKDWHFBKSJW-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 137964749
N-[[4-(aminomethyl)-1-oxothian-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 70036403
(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
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione
CID 84767493
[3-(Fluoromethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84768420
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine?
The IUPAC name of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine (CID 84773584) is [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine.
What is the SMILES notation for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine?
The canonical SMILES for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine is NCC1(CF)CCS(=O)(=O)CC1.
What is the InChIKey of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine?
The InChIKey is JJGLKDWHFBKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h1-6,9H2.
What are the key properties of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine?
[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanamine is sourced from PubChem (CID 84773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).