1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine

C15H22FN — CID 170359675

IUPAC1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=C(C(C)F)C=CN1/C=C(\C)C(C)CC
InChIInChI=1S/C15H22FN/c1-6-11(2)12(3)10-17-8-7-15(14(5)16)9-13(17)4/h7-11,14H,4,6H2,1-3,5H3/b12-10+
InChIKeyHNEGPAZSNMIAIJ-ZRDIBKRKSA-N
MW235.35 g/mol
LogP4.56
Rot. Bonds4

About 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine

1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine (PubChem CID 170359675) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
PubChem CID170359675
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=C(C(C)F)C=CN1/C=C(\C)C(C)CC
InChIInChI=1S/C15H22FN/c1-6-11(2)12(3)10-17-8-7-15(14(5)16)9-13(17)4/h7-11,14H,4,6H2,1-3,5H3/b12-10+
InChIKeyHNEGPAZSNMIAIJ-ZRDIBKRKSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine?
The IUPAC name of 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine (CID 170359675) is 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine.
What is the SMILES notation for 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine?
The canonical SMILES for 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine is C=C1C=C(C(C)F)C=CN1/C=C(\C)C(C)CC.
What is the InChIKey of 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine?
The InChIKey is HNEGPAZSNMIAIJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H22FN/c1-6-11(2)12(3)10-17-8-7-15(14(5)16)9-13(17)4/h7-11,14H,4,6H2,1-3,5H3/b12-10+.
What are the key properties of 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine?
1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine has a molecular weight of 235.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine is sourced from PubChem (CID 170359675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).