2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine

C14H16F3NOS — CID 20692878

IUPAC2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine
SMILESCSC1CC(/C(C)=C/c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C14H16F3NOS/c1-9(10-6-13(7-10)20-2)5-11-3-4-12(8-18-11)19-14(15,16)17/h3-5,8,10,13H,6-7H2,1-2H3/b9-5+
InChIKeyJTFODUARASFRIK-WEVVVXLNSA-N
MW303.35 g/mol
LogP4.53
Rot. Bonds4

About 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine

2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine (PubChem CID 20692878) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine
PubChem CID20692878
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine
SMILESCSC1CC(/C(C)=C/c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C14H16F3NOS/c1-9(10-6-13(7-10)20-2)5-11-3-4-12(8-18-11)19-14(15,16)17/h3-5,8,10,13H,6-7H2,1-2H3/b9-5+
InChIKeyJTFODUARASFRIK-WEVVVXLNSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine (CID 20692878) is 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine is CSC1CC(/C(C)=C/c2ccc(OC(F)(F)F)cn2)C1.
What is the InChIKey of 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine?
The InChIKey is JTFODUARASFRIK-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-9(10-6-13(7-10)20-2)5-11-3-4-12(8-18-11)19-14(15,16)17/h3-5,8,10,13H,6-7H2,1-2H3/b9-5+.
What are the key properties of 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine?
2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine has a molecular weight of 303.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methylsulfanylcyclobutyl)prop-1-enyl]-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 20692878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).