3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane

C14H20F5NS — CID 143819427

IUPAC3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane
SMILESCC.Cc1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F
InChIInChI=1S/C12H14F5NS.C2H6/c1-8-10(12(15,16)17)5-9(19-8)6-18-4-2-3-11(13,14)7-18;1-2/h5H,2-4,6-7H2,1H3;1-2H3
InChIKeyLRCGHAFOOAMXMZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.33
Rot. Bonds2

About 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane

3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane (PubChem CID 143819427) has the molecular formula C14H20F5NS and a molecular weight of 329.38 g/mol. Its IUPAC name is 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane
PubChem CID143819427
Molecular FormulaC14H20F5NS
Molecular Weight329.38 g/mol
Exact Mass329.12
IUPAC Name3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane
SMILESCC.Cc1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F
InChIInChI=1S/C12H14F5NS.C2H6/c1-8-10(12(15,16)17)5-9(19-8)6-18-4-2-3-11(13,14)7-18;1-2/h5H,2-4,6-7H2,1H3;1-2H3
InChIKeyLRCGHAFOOAMXMZ-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane?
The IUPAC name of 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane (CID 143819427) is 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane?
The canonical SMILES for 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane is CC.Cc1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane?
The InChIKey is LRCGHAFOOAMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NS.C2H6/c1-8-10(12(15,16)17)5-9(19-8)6-18-4-2-3-11(13,14)7-18;1-2/h5H,2-4,6-7H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane?
3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane has a molecular weight of 329.38 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane is sourced from PubChem (CID 143819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).