2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine

C8H16FNS — CID 105437221

IUPAC2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine
SMILESCNCC(C)(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,6-10-2)7-3-4-11-5-7/h7,10H,3-6H2,1-2H3
InChIKeyYXBZXJIOELGTJL-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.69
Rot. Bonds3

About 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine

2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine (PubChem CID 105437221) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine
PubChem CID105437221
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine
SMILESCNCC(C)(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-8(9,6-10-2)7-3-4-11-5-7/h7,10H,3-6H2,1-2H3
InChIKeyYXBZXJIOELGTJL-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
CID 163788703
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306237
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-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
3-Fluoro-3-(thian-4-yl)pyrrolidine
CID 83817907
2-(3-fluorothiolan-3-yl)-N-methylethanamine
CID 84731545
2-Fluoro-2-(thiolan-3-yl)propan-1-amine
CID 105432257
2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine
CID 105432264
3-Fluoro-3-(thiolan-3-yl)butan-1-amine
CID 105437222

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine (CID 105437221) is 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine is CNCC(C)(F)C1CCSC1.
What is the InChIKey of 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine?
The InChIKey is YXBZXJIOELGTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(9,6-10-2)7-3-4-11-5-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine?
2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105437221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).