2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

C11H19F2N — CID 155037099

IUPAC2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C(C)C)CC1(F)F
InChIInChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)11(12,13)7-10/h8,10H,3,5-7H2,1-2,4H3
InChIKeyRNGIIABESSNOMM-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.48
Rot. Bonds2

About 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 155037099) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
PubChem CID155037099
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C(C)C)CC1(F)F
InChIInChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)11(12,13)7-10/h8,10H,3,5-7H2,1-2,4H3
InChIKeyRNGIIABESSNOMM-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 155037099) is 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(C(C)C)CC1(F)F.
What is the InChIKey of 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The InChIKey is RNGIIABESSNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)11(12,13)7-10/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine has a molecular weight of 203.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 155037099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).