(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine

C9H16FN — CID 178101831

IUPAC(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine
SMILESCN1C/C(=C/F)CC(C)(C)C1
InChIInChI=1S/C9H16FN/c1-9(2)4-8(5-10)6-11(3)7-9/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRKLUXYLXQSDFEY-VMPITWQZSA-N
MW157.23 g/mol
LogP2.20
Rot. Bonds

About (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine

(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine (PubChem CID 178101831) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine.

Molecular Properties

Compound Name(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine
PubChem CID178101831
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine
SMILESCN1C/C(=C/F)CC(C)(C)C1
InChIInChI=1S/C9H16FN/c1-9(2)4-8(5-10)6-11(3)7-9/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRKLUXYLXQSDFEY-VMPITWQZSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine?
The IUPAC name of (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine (CID 178101831) is (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine.
What is the SMILES notation for (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine?
The canonical SMILES for (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine is CN1C/C(=C/F)CC(C)(C)C1.
What is the InChIKey of (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine?
The InChIKey is RKLUXYLXQSDFEY-VMPITWQZSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(2)4-8(5-10)6-11(3)7-9/h5H,4,6-7H2,1-3H3/b8-5+.
What are the key properties of (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine?
(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine is sourced from PubChem (CID 178101831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).