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

C12H20F2N2 — CID 166844128

IUPAC1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(C1CC1(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H20F2N2/c1-9(2)15-4-6-16(7-5-15)10(3)11-8-12(11,13)14/h9,11H,3-8H2,1-2H3
InChIKeyHSZPCHKFJKEYSB-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.18
Rot. Bonds3

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

1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine (PubChem CID 166844128) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine
PubChem CID166844128
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(C1CC1(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H20F2N2/c1-9(2)15-4-6-16(7-5-15)10(3)11-8-12(11,13)14/h9,11H,3-8H2,1-2H3
InChIKeyHSZPCHKFJKEYSB-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.18
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-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine (CID 166844128) is 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine is C=C(C1CC1(F)F)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The InChIKey is HSZPCHKFJKEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-9(2)15-4-6-16(7-5-15)10(3)11-8-12(11,13)14/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine has a molecular weight of 230.30 g/mol, XLogP of 2.18, 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-difluorocyclopropyl)ethenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 166844128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).