5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine

C11H14F3N — CID 163645000

IUPAC5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine
SMILESCC1(C)CC(C(F)(F)F)=C(C2CC2)C=N1
InChIInChI=1S/C11H14F3N/c1-10(2)5-9(11(12,13)14)8(6-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyIHMNVNQMLBVXIH-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.51
Rot. Bonds1

About 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine

5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine (PubChem CID 163645000) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine
PubChem CID163645000
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine
SMILESCC1(C)CC(C(F)(F)F)=C(C2CC2)C=N1
InChIInChI=1S/C11H14F3N/c1-10(2)5-9(11(12,13)14)8(6-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyIHMNVNQMLBVXIH-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine?
The IUPAC name of 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine (CID 163645000) is 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine.
What is the SMILES notation for 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine?
The canonical SMILES for 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine is CC1(C)CC(C(F)(F)F)=C(C2CC2)C=N1.
What is the InChIKey of 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine?
The InChIKey is IHMNVNQMLBVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-10(2)5-9(11(12,13)14)8(6-15-10)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine?
5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-dimethyl-4-(trifluoromethyl)-3H-pyridine is sourced from PubChem (CID 163645000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).