1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine

C10H17F2N — CID 155036947

IUPAC1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
SMILESC=CN1CCC(C(C)C)CC1(F)F
InChIInChI=1S/C10H17F2N/c1-4-13-6-5-9(8(2)3)7-10(13,11)12/h4,8-9H,1,5-7H2,2-3H3
InChIKeyCLILDUNGGKMTMM-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.09
Rot. Bonds2

About 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine

1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine (PubChem CID 155036947) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
PubChem CID155036947
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
SMILESC=CN1CCC(C(C)C)CC1(F)F
InChIInChI=1S/C10H17F2N/c1-4-13-6-5-9(8(2)3)7-10(13,11)12/h4,8-9H,1,5-7H2,2-3H3
InChIKeyCLILDUNGGKMTMM-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.09
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 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?
The IUPAC name of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine (CID 155036947) is 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?
The canonical SMILES for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine is C=CN1CCC(C(C)C)CC1(F)F.
What is the InChIKey of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?
The InChIKey is CLILDUNGGKMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-13-6-5-9(8(2)3)7-10(13,11)12/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?
1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine has a molecular weight of 189.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 155036947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).