ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine

C10H14F3N — CID 145360065

IUPACethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
SMILESC=C1C=C(C(F)(F)F)C(C)=CN1.CC
InChIInChI=1S/C8H8F3N.C2H6/c1-5-4-12-6(2)3-7(5)8(9,10)11;1-2/h3-4,12H,2H2,1H3;1-2H3
InChIKeyXBNKXINDUVFGAH-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.52
Rot. Bonds

About ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine

ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine (PubChem CID 145360065) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Nameethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
PubChem CID145360065
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Nameethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
SMILESC=C1C=C(C(F)(F)F)C(C)=CN1.CC
InChIInChI=1S/C8H8F3N.C2H6/c1-5-4-12-6(2)3-7(5)8(9,10)11;1-2/h3-4,12H,2H2,1H3;1-2H3
InChIKeyXBNKXINDUVFGAH-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylidene-4-(trifluoromethyl)-1H-pyridine
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(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
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CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
5-tert-butyl-3-fluoro-2-methylidene-1H-pyridine
CID 89639548
5-tert-butyl-2-methylidene-3-(trifluoromethyl)-1H-pyridine
CID 89639552
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
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5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The IUPAC name of ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine (CID 145360065) is ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine is C=C1C=C(C(F)(F)F)C(C)=CN1.CC.
What is the InChIKey of ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The InChIKey is XBNKXINDUVFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C2H6/c1-5-4-12-6(2)3-7(5)8(9,10)11;1-2/h3-4,12H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine has a molecular weight of 205.22 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 145360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).