4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine

C11H7F6N — CID 147296051

IUPAC4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine
SMILESCC1(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)C=C1
InChIInChI=1S/C11H7F6N/c1-9(2-3-9)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17/h2-5H,1H3
InChIKeyCVDINOOLMRDWLB-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.95
Rot. Bonds1

About 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine

4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine (PubChem CID 147296051) has the molecular formula C11H7F6N and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine
PubChem CID147296051
Molecular FormulaC11H7F6N
Molecular Weight267.17 g/mol
Exact Mass267.05
IUPAC Name4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine
SMILESCC1(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)C=C1
InChIInChI=1S/C11H7F6N/c1-9(2-3-9)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17/h2-5H,1H3
InChIKeyCVDINOOLMRDWLB-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
CID 89320814
4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 130115566
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
CID 162523537
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
CID 145468613
2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739052
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 71431274
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
CID 132551108

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine (CID 147296051) is 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine is CC1(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)C=C1.
What is the InChIKey of 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is CVDINOOLMRDWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N/c1-9(2-3-9)6-4-7(10(12,13)14)18-8(5-6)11(15,16)17/h2-5H,1H3.
What are the key properties of 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine?
4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 267.17 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcycloprop-2-en-1-yl)-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 147296051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).