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

C14H18F5NS — CID 58115864

IUPAC3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine
SMILESCC(C)c1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F5NS/c1-9(2)12-11(14(17,18)19)6-10(21-12)7-20-5-3-4-13(15,16)8-20/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYKYHHFDJYBFQJS-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.12
Rot. Bonds3

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

3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine (PubChem CID 58115864) has the molecular formula C14H18F5NS and a molecular weight of 327.36 g/mol. Its IUPAC name is 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine
PubChem CID58115864
Molecular FormulaC14H18F5NS
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine
SMILESCC(C)c1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F
InChIInChI=1S/C14H18F5NS/c1-9(2)12-11(14(17,18)19)6-10(21-12)7-20-5-3-4-13(15,16)8-20/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYKYHHFDJYBFQJS-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.12
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-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine (CID 58115864) is 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine is CC(C)c1sc(CN2CCCC(F)(F)C2)cc1C(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine?
The InChIKey is YKYHHFDJYBFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NS/c1-9(2)12-11(14(17,18)19)6-10(21-12)7-20-5-3-4-13(15,16)8-20/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine?
3,3-difluoro-1-[[5-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine has a molecular weight of 327.36 g/mol, XLogP of 5.12, 3 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-propan-2-yl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine is sourced from PubChem (CID 58115864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).