2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine

C7H14FNS — CID 105432264

IUPAC2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine
SMILESCNCC(F)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3
InChIKeyFQUQNLJTNQEYDV-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.30
Rot. Bonds3

About 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine

2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine (PubChem CID 105432264) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine
PubChem CID105432264
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine
SMILESCNCC(F)C1CCSC1
InChIInChI=1S/C7H14FNS/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3
InChIKeyFQUQNLJTNQEYDV-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl[(thiolan-3-yl)methyl]amine hydrochloride
CID 171338235
N-methyl-1-(tetrahydrothiophen-3-yl)methanamine
CID 64164649
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306237
2-fluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 80694866
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
2-(3-Fluorothiolan-3-yl)ethanamine
CID 84731239
1-(3-fluorothiolan-3-yl)-N-methylmethanamine
CID 84731240
2-(3-fluorothiolan-3-yl)-N-methylethanamine
CID 84731545
2-(4-Fluorothiolan-3-yl)ethanamine
CID 84763159
2-Fluoro-2-(thiolan-3-yl)ethan-1-amine
CID 105429370

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine (CID 105432264) is 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine is CNCC(F)C1CCSC1.
What is the InChIKey of 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
The InChIKey is FQUQNLJTNQEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine?
2-fluoro-N-methyl-2-(thiolan-3-yl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.30, 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)ethanamine is sourced from PubChem (CID 105432264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).