2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine

C11H14F3NS — CID 165364825

IUPAC2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine
SMILESCC(C)Sc1ncccc1CCC(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-8(2)16-10-9(4-3-7-15-10)5-6-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYADVWHBCXMSTPE-UHFFFAOYSA-N
MW249.30 g/mol
LogP4.08
Rot. Bonds4

About 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine

2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine (PubChem CID 165364825) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine
PubChem CID165364825
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine
SMILESCC(C)Sc1ncccc1CCC(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-8(2)16-10-9(4-3-7-15-10)5-6-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYADVWHBCXMSTPE-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 163672199
[2-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 107752020
3-[[4-(cyclopropylmethyl)-2,6-difluorophenoxy]methyl]-2-propan-2-ylsulfanylpyridine
CID 137497119
3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine
CID 137497094
2-methylsulfanyl-3-propylpyridine
CID 142155621
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
3-(chloromethyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine
CID 90118218
2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
3-[[3-[(tert-butylamino)methyl]-2-pyridinyl]sulfanyl]butan-1-ol
CID 114057304
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine?
The IUPAC name of 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine (CID 165364825) is 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine?
The canonical SMILES for 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine is CC(C)Sc1ncccc1CCC(F)(F)F.
What is the InChIKey of 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine?
The InChIKey is YADVWHBCXMSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-8(2)16-10-9(4-3-7-15-10)5-6-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine?
2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine has a molecular weight of 249.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine is sourced from PubChem (CID 165364825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).