3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine

C11H19F2N — CID 155044560

IUPAC3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C(C)C)C(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-4-6-14-7-5-10(9(2)3)11(12,13)8-14/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKGHDVROXFBJCIJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.79
Rot. Bonds3

About 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine

3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine (PubChem CID 155044560) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine
PubChem CID155044560
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C(C)C)C(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-4-6-14-7-5-10(9(2)3)11(12,13)8-14/h4,9-10H,1,5-8H2,2-3H3
InChIKeyKGHDVROXFBJCIJ-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine?
The IUPAC name of 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine (CID 155044560) is 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine?
The canonical SMILES for 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine is C=CCN1CCC(C(C)C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine?
The InChIKey is KGHDVROXFBJCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-4-6-14-7-5-10(9(2)3)11(12,13)8-14/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine?
3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine has a molecular weight of 203.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yl-1-prop-2-enylpiperidine is sourced from PubChem (CID 155044560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).