2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine

C7H13F2NS — CID 105439608

IUPAC2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine
SMILESCNCC(F)(F)C1CCSC1
InChIInChI=1S/C7H13F2NS/c1-10-5-7(8,9)6-2-3-11-4-6/h6,10H,2-5H2,1H3
InChIKeyWPFWWPHVJKGPKL-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.59
Rot. Bonds3

About 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine

2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine (PubChem CID 105439608) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine
PubChem CID105439608
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine
SMILESCNCC(F)(F)C1CCSC1
InChIInChI=1S/C7H13F2NS/c1-10-5-7(8,9)6-2-3-11-4-6/h6,10H,2-5H2,1H3
InChIKeyWPFWWPHVJKGPKL-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 163878814
2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
8-(Difluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306206
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80722665
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
1-(3-fluorothiolan-3-yl)-N-methylmethanamine
CID 84731240
2-(3-fluorothiolan-3-yl)-N-methylethanamine
CID 84731545
2-(4,4-Difluorothiolan-3-yl)ethanamine
CID 84765255
2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine
CID 105432264
2,2-Difluoro-2-(thiolan-3-yl)ethan-1-amine
CID 105433523
2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine
CID 105437221

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine (CID 105439608) is 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine is CNCC(F)(F)C1CCSC1.
What is the InChIKey of 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The InChIKey is WPFWWPHVJKGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-10-5-7(8,9)6-2-3-11-4-6/h6,10H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine has a molecular weight of 181.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105439608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).