1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine

C13H22F2N2 — CID 166844072

IUPAC1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C)CC1(F)F
InChIInChI=1S/C13H22F2N2/c1-10(2)16-5-7-17(8-6-16)11(3)12(4)9-13(12,14)15/h10H,3,5-9H2,1-2,4H3
InChIKeyAEAFLJOQAJJVAG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.57
Rot. Bonds3

About 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine

1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine (PubChem CID 166844072) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
PubChem CID166844072
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C)CC1(F)F
InChIInChI=1S/C13H22F2N2/c1-10(2)16-5-7-17(8-6-16)11(3)12(4)9-13(12,14)15/h10H,3,5-9H2,1-2,4H3
InChIKeyAEAFLJOQAJJVAG-UHFFFAOYSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine (CID 166844072) is 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine is C=C(N1CCN(C(C)C)CC1)C1(C)CC1(F)F.
What is the InChIKey of 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The InChIKey is AEAFLJOQAJJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2/c1-10(2)16-5-7-17(8-6-16)11(3)12(4)9-13(12,14)15/h10H,3,5-9H2,1-2,4H3.
What are the key properties of 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine has a molecular weight of 244.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 166844072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).