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

C7H13F2NO2S — CID 105466692

IUPAC(4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6(4-10)5-13(11,12)3-2-7(6,8)9/h2-5,10H2,1H3
InChIKeyCGQFBMDOHNNOFD-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.41
Rot. Bonds1

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

(4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine (PubChem CID 105466692) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
PubChem CID105466692
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name(4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6(4-10)5-13(11,12)3-2-7(6,8)9/h2-5,10H2,1H3
InChIKeyCGQFBMDOHNNOFD-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 123204712
5,5-Difluoro-4,4,6-trimethylthiazinane 1,1-dioxide
CID 126553242
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione
CID 84767493
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
[3-(Fluoromethyl)-1,1-dioxothian-3-yl]methanamine
CID 84773583
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanamine
CID 84773584
(4,4-Difluoro-1,1-dioxothian-3-yl)methanamine
CID 84775227
2-(3,3-Difluoro-1,1-dioxothian-4-yl)ethanamine
CID 84782747
2-(4,4-Difluoro-1,1-dioxothian-3-yl)ethanamine
CID 84782748
(4-Fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
CID 105449127
(3-Fluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
CID 105449128

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine (CID 105466692) is (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine is CC1(CN)CS(=O)(=O)CCC1(F)F.
What is the InChIKey of (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The InChIKey is CGQFBMDOHNNOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6(4-10)5-13(11,12)3-2-7(6,8)9/h2-5,10H2,1H3.
What are the key properties of (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
(4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine has a molecular weight of 213.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-methyl-1,1-dioxothian-3-yl)methanamine is sourced from PubChem (CID 105466692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).