3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine

C9H18F2N2 — CID 58029507

IUPAC3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNC(C(C)(F)F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)13-5-4-12-8(6-13)9(3,10)11/h7-8,12H,4-6H2,1-3H3
InChIKeyFZVYBGZZBRLMMV-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.32
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine

3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine (PubChem CID 58029507) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine
PubChem CID58029507
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNC(C(C)(F)F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)13-5-4-12-8(6-13)9(3,10)11/h7-8,12H,4-6H2,1-3H3
InChIKeyFZVYBGZZBRLMMV-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine (CID 58029507) is 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine is CC(C)N1CCNC(C(C)(F)F)C1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine?
The InChIKey is FZVYBGZZBRLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)13-5-4-12-8(6-13)9(3,10)11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine?
3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine has a molecular weight of 192.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 58029507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).