1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine

C11H14F3N — CID 138509575

IUPAC1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
SMILESC/C=C/C1=C(C(F)(F)F)CN(C)C(C)=C1
InChIInChI=1S/C11H14F3N/c1-4-5-9-6-8(2)15(3)7-10(9)11(12,13)14/h4-6H,7H2,1-3H3/b5-4+
InChIKeyQFBDLBFVFOGJIB-SNAWJCMRSA-N
MW217.23 g/mol
LogP3.27
Rot. Bonds1

About 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine

1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine (PubChem CID 138509575) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
PubChem CID138509575
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
SMILESC/C=C/C1=C(C(F)(F)F)CN(C)C(C)=C1
InChIInChI=1S/C11H14F3N/c1-4-5-9-6-8(2)15(3)7-10(9)11(12,13)14/h4-6H,7H2,1-3H3/b5-4+
InChIKeyQFBDLBFVFOGJIB-SNAWJCMRSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine (CID 138509575) is 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine is C/C=C/C1=C(C(F)(F)F)CN(C)C(C)=C1.
What is the InChIKey of 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is QFBDLBFVFOGJIB-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14F3N/c1-4-5-9-6-8(2)15(3)7-10(9)11(12,13)14/h4-6H,7H2,1-3H3/b5-4+.
What are the key properties of 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine?
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 138509575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).