2,2-difluoro-2-(4-methylthian-4-yl)ethanamine

C8H15F2NS — CID 115020353

IUPAC2,2-difluoro-2-(4-methylthian-4-yl)ethanamine
SMILESCC1(C(F)(F)CN)CCSCC1
InChIInChI=1S/C8H15F2NS/c1-7(8(9,10)6-11)2-4-12-5-3-7/h2-6,11H2,1H3
InChIKeyHVFZKTQYGHJEOG-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds2

About 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine

2,2-difluoro-2-(4-methylthian-4-yl)ethanamine (PubChem CID 115020353) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methylthian-4-yl)ethanamine
PubChem CID115020353
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2,2-difluoro-2-(4-methylthian-4-yl)ethanamine
SMILESCC1(C(F)(F)CN)CCSCC1
InChIInChI=1S/C8H15F2NS/c1-7(8(9,10)6-11)2-4-12-5-3-7/h2-6,11H2,1H3
InChIKeyHVFZKTQYGHJEOG-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-Methyltetrahydro-2H-thiopyran-4-yl)methanamine
CID 83815259
[3-(Fluoromethyl)thian-3-yl]methanamine
CID 84764720
[4-(Fluoromethyl)thian-4-yl]methanamine
CID 84764721
2-(3,3-Difluorothian-4-yl)ethanamine
CID 84768505
2,2-Difluoro-2-(thian-4-yl)ethanamine
CID 105439610
2-(4-Fluorothian-4-yl)-2-methylpropan-1-amine
CID 105445599
2-(3-Fluorothian-3-yl)-2-methylpropan-1-amine
CID 105445600
2,2-Difluoro-3-(thian-4-yl)propan-1-amine
CID 105449351
2,2-Difluoro-2-(4-fluorothian-4-yl)ethanamine
CID 105452050
2,2-Difluoro-2-(3-fluorothian-3-yl)ethanamine
CID 105452051
2-[4-(Fluoromethyl)thian-4-yl]ethanamine
CID 115014998
2,2-Difluoro-2-(3-methylthiolan-3-yl)ethanamine
CID 115015963

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine (CID 115020353) is 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine is CC1(C(F)(F)CN)CCSCC1.
What is the InChIKey of 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine?
The InChIKey is HVFZKTQYGHJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-7(8(9,10)6-11)2-4-12-5-3-7/h2-6,11H2,1H3.
What are the key properties of 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine?
2,2-difluoro-2-(4-methylthian-4-yl)ethanamine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methylthian-4-yl)ethanamine is sourced from PubChem (CID 115020353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).