2-[3-(difluoromethyl)thian-3-yl]ethanamine

C8H15F2NS — CID 115020350

IUPAC2-[3-(difluoromethyl)thian-3-yl]ethanamine
SMILESNCCC1(C(F)F)CCCSC1
InChIInChI=1S/C8H15F2NS/c9-7(10)8(3-4-11)2-1-5-12-6-8/h7H,1-6,11H2
InChIKeyZSVWNHUENWQTNJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds3

About 2-[3-(difluoromethyl)thian-3-yl]ethanamine

2-[3-(difluoromethyl)thian-3-yl]ethanamine (PubChem CID 115020350) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)thian-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)thian-3-yl]ethanamine
PubChem CID115020350
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-[3-(difluoromethyl)thian-3-yl]ethanamine
SMILESNCCC1(C(F)F)CCCSC1
InChIInChI=1S/C8H15F2NS/c9-7(10)8(3-4-11)2-1-5-12-6-8/h7H,1-6,11H2
InChIKeyZSVWNHUENWQTNJ-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-(trifluoromethyl)thian-2-amine
CID 58388320
5-Methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
CID 91346030
3,3,3-Trifluoro-2-(thian-4-yl)propan-1-amine
CID 83821290
2-(3-Fluorothian-3-yl)ethanamine
CID 84731544
2-(4-Fluorothian-3-yl)ethanamine
CID 84764719
[3-(Fluoromethyl)thian-3-yl]methanamine
CID 84764720
(4,4-Difluorothian-3-yl)methanamine
CID 84765254
2-(3,3-Difluorothian-4-yl)ethanamine
CID 84768505
2-(4,4-Difluorothian-3-yl)ethanamine
CID 84768506
[4-(2,2,2-Trifluoroethyl)thian-3-yl]methanamine
CID 84782840
[3-(2,2,2-Trifluoroethyl)thian-4-yl]methanamine
CID 84782841
2-Fluoro-2-(thian-3-yl)ethan-1-amine
CID 105432263

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)thian-3-yl]ethanamine?
The IUPAC name of 2-[3-(difluoromethyl)thian-3-yl]ethanamine (CID 115020350) is 2-[3-(difluoromethyl)thian-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethyl)thian-3-yl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethyl)thian-3-yl]ethanamine is NCCC1(C(F)F)CCCSC1.
What is the InChIKey of 2-[3-(difluoromethyl)thian-3-yl]ethanamine?
The InChIKey is ZSVWNHUENWQTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c9-7(10)8(3-4-11)2-1-5-12-6-8/h7H,1-6,11H2.
What are the key properties of 2-[3-(difluoromethyl)thian-3-yl]ethanamine?
2-[3-(difluoromethyl)thian-3-yl]ethanamine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)thian-3-yl]ethanamine is sourced from PubChem (CID 115020350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).