1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine

C14H20F2N2 — CID 117389294

IUPAC1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
SMILESCC(C)(F)c1ccc(F)c(CN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c1-14(2,16)12-3-4-13(15)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyZDKUBZABFYWKBY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.44
Rot. Bonds3

About 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine

1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine (PubChem CID 117389294) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
PubChem CID117389294
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
SMILESCC(C)(F)c1ccc(F)c(CN2CCNCC2)c1
InChIInChI=1S/C14H20F2N2/c1-14(2,16)12-3-4-13(15)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyZDKUBZABFYWKBY-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine (CID 117389294) is 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine is CC(C)(F)c1ccc(F)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine?
The InChIKey is ZDKUBZABFYWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(2,16)12-3-4-13(15)11(9-12)10-18-7-5-17-6-8-18/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine?
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 117389294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).