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

C7H13F2NO2S — CID 105466693

IUPAC(3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
SMILESCC1(CN)CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6(4-10)2-3-13(11,12)5-7(6,8)9/h2-5,10H2,1H3
InChIKeyDONRAYIAFJGRPG-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.41
Rot. Bonds1

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

(3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine (PubChem CID 105466693) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
PubChem CID105466693
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name(3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine
SMILESCC1(CN)CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6(4-10)2-3-13(11,12)5-7(6,8)9/h2-5,10H2,1H3
InChIKeyDONRAYIAFJGRPG-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-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 137964749
N-[[4-(aminomethyl)thian-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 70033246
N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 70034374
N-[[4-(aminomethyl)-1-oxothian-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 70036403
(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-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
[3-(Fluoromethyl)-1,1-dioxothian-3-yl]methanamine
CID 84773583
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanamine
CID 84773584
(3,3-Difluoro-1,1-dioxothian-4-yl)methanamine
CID 84775226
2-(3,3-Difluoro-1,1-dioxothian-4-yl)ethanamine
CID 84782747

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine?
The IUPAC name of (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine (CID 105466693) is (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine.
What is the SMILES notation for (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine?
The canonical SMILES for (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine is CC1(CN)CCS(=O)(=O)CC1(F)F.
What is the InChIKey of (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine?
The InChIKey is DONRAYIAFJGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6(4-10)2-3-13(11,12)5-7(6,8)9/h2-5,10H2,1H3.
What are the key properties of (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine?
(3,3-difluoro-4-methyl-1,1-dioxothian-4-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 (3,3-difluoro-4-methyl-1,1-dioxothian-4-yl)methanamine is sourced from PubChem (CID 105466693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).