2-(3-fluorothiolan-3-yl)ethanamine

C6H12FNS — CID 84731239

IUPAC2-(3-fluorothiolan-3-yl)ethanamine
SMILESNCCC1(F)CCSC1
InChIInChI=1S/C6H12FNS/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2
InChIKeyHUYRLGBIYZKYHM-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.18
Rot. Bonds2

About 2-(3-fluorothiolan-3-yl)ethanamine

2-(3-fluorothiolan-3-yl)ethanamine (PubChem CID 84731239) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 2-(3-fluorothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorothiolan-3-yl)ethanamine
PubChem CID84731239
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name2-(3-fluorothiolan-3-yl)ethanamine
SMILESNCCC1(F)CCSC1
InChIInChI=1S/C6H12FNS/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2
InChIKeyHUYRLGBIYZKYHM-UHFFFAOYSA-N
XLogP1.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-2-thiophenemethanamine
CID 15629560
(4-Fluorothiolan-3-yl)methanamine
CID 83853749
(3-Fluorothiolan-3-yl)methanamine
CID 84020621
2-(4-Fluorothian-4-yl)ethanamine
CID 84651738
2-(3-Fluorothian-3-yl)ethanamine
CID 84731544
2-(3-fluorothiolan-3-yl)-N-methylethanamine
CID 84731545
2-(4-Fluorothiolan-3-yl)ethanamine
CID 84763159
2-(3-Fluorothian-4-yl)ethanamine
CID 84764718
2-(4,4-Difluorothiolan-3-yl)ethanamine
CID 84765255
[4-(2,2,2-Trifluoroethyl)thiolan-3-yl]methanamine
CID 84775324
2-Fluoro-2-(thiolan-3-yl)ethan-1-amine
CID 105429370
2-Fluoro-2-(thiolan-2-yl)ethan-1-amine
CID 105429371

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiolan-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorothiolan-3-yl)ethanamine (CID 84731239) is 2-(3-fluorothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorothiolan-3-yl)ethanamine is NCCC1(F)CCSC1.
What is the InChIKey of 2-(3-fluorothiolan-3-yl)ethanamine?
The InChIKey is HUYRLGBIYZKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2.
What are the key properties of 2-(3-fluorothiolan-3-yl)ethanamine?
2-(3-fluorothiolan-3-yl)ethanamine has a molecular weight of 149.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiolan-3-yl)ethanamine is sourced from PubChem (CID 84731239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).