3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine

C11H18FN — CID 138655203

IUPAC3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1NCC=C(C(C)C)C1F
InChIInChI=1S/C11H18FN/c1-4-5-10-11(12)9(8(2)3)6-7-13-10/h4-6,8,10-11,13H,7H2,1-3H3/b5-4-
InChIKeyYQIFUQHXRFGKSJ-PLNGDYQASA-N
MW183.27 g/mol
LogP2.45
Rot. Bonds2

About 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine

3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (PubChem CID 138655203) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
PubChem CID138655203
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1NCC=C(C(C)C)C1F
InChIInChI=1S/C11H18FN/c1-4-5-10-11(12)9(8(2)3)6-7-13-10/h4-6,8,10-11,13H,7H2,1-3H3/b5-4-
InChIKeyYQIFUQHXRFGKSJ-PLNGDYQASA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (CID 138655203) is 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is C/C=C\C1NCC=C(C(C)C)C1F.
What is the InChIKey of 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is YQIFUQHXRFGKSJ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18FN/c1-4-5-10-11(12)9(8(2)3)6-7-13-10/h4-6,8,10-11,13H,7H2,1-3H3/b5-4-.
What are the key properties of 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 183.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 138655203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).