1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine

C12H14F3N — CID 164910705

IUPAC1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1/C=C(/C)CC
InChIInChI=1S/C12H14F3N/c1-4-9(2)7-16-8-11(12(13,14)15)6-5-10(16)3/h5-8H,3-4H2,1-2H3/b9-7-
InChIKeyWPCJPLUZAZZTGW-CLFYSBASSA-N
MW229.24 g/mol
LogP4.13
Rot. Bonds2

About 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine

1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine (PubChem CID 164910705) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine
PubChem CID164910705
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1/C=C(/C)CC
InChIInChI=1S/C12H14F3N/c1-4-9(2)7-16-8-11(12(13,14)15)6-5-10(16)3/h5-8H,3-4H2,1-2H3/b9-7-
InChIKeyWPCJPLUZAZZTGW-CLFYSBASSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine (CID 164910705) is 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine is C=C1C=CC(C(F)(F)F)=CN1/C=C(/C)CC.
What is the InChIKey of 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine?
The InChIKey is WPCJPLUZAZZTGW-CLFYSBASSA-N. The full InChI is InChI=1S/C12H14F3N/c1-4-9(2)7-16-8-11(12(13,14)15)6-5-10(16)3/h5-8H,3-4H2,1-2H3/b9-7-.
What are the key properties of 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine?
1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine has a molecular weight of 229.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methylbut-1-enyl]-2-methylidene-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 164910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).