2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine

C12H15F2NS — CID 105117558

IUPAC2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9,12H,3-5,7,15H2
InChIKeyMNPVKZINFJCXTJ-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.59
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine

2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105117558) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105117558
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9,12H,3-5,7,15H2
InChIKeyMNPVKZINFJCXTJ-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-(2,4-difluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79909997
[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105296758
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
CID 105131271
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine (CID 105117558) is 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine is NC(Cc1ccc(F)cc1F)C1CCSC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is MNPVKZINFJCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9,12H,3-5,7,15H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine?
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 243.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105117558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).