1-but-1-en-2-yl-4,4-difluoropiperidine

C9H15F2N — CID 89104452

IUPAC1-but-1-en-2-yl-4,4-difluoropiperidine
SMILESC=C(CC)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-3-8(2)12-6-4-9(10,11)5-7-12/h2-7H2,1H3
InChIKeyPXUATTQKBJMRBL-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.64
Rot. Bonds2

About 1-but-1-en-2-yl-4,4-difluoropiperidine

1-but-1-en-2-yl-4,4-difluoropiperidine (PubChem CID 89104452) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4,4-difluoropiperidine
PubChem CID89104452
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-but-1-en-2-yl-4,4-difluoropiperidine
SMILESC=C(CC)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-3-8(2)12-6-4-9(10,11)5-7-12/h2-7H2,1H3
InChIKeyPXUATTQKBJMRBL-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-but-1-en-2-yl-4,4-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4,4-difluoropiperidine?
The IUPAC name of 1-but-1-en-2-yl-4,4-difluoropiperidine (CID 89104452) is 1-but-1-en-2-yl-4,4-difluoropiperidine.
What is the SMILES notation for 1-but-1-en-2-yl-4,4-difluoropiperidine?
The canonical SMILES for 1-but-1-en-2-yl-4,4-difluoropiperidine is C=C(CC)N1CCC(F)(F)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4,4-difluoropiperidine?
The InChIKey is PXUATTQKBJMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-8(2)12-6-4-9(10,11)5-7-12/h2-7H2,1H3.
What are the key properties of 1-but-1-en-2-yl-4,4-difluoropiperidine?
1-but-1-en-2-yl-4,4-difluoropiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4,4-difluoropiperidine is sourced from PubChem (CID 89104452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).