3,5-difluoro-1-phenylpiperazine

C10H12F2N2 — CID 176905401

IUPAC3,5-difluoro-1-phenylpiperazine
SMILESFC1CN(c2ccccc2)CC(F)N1
InChIInChI=1S/C10H12F2N2/c11-9-6-14(7-10(12)13-9)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyQCLUEWUWHGBQLF-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.69
Rot. Bonds1

About 3,5-difluoro-1-phenylpiperazine

3,5-difluoro-1-phenylpiperazine (PubChem CID 176905401) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5-difluoro-1-phenylpiperazine.

Molecular Properties

Compound Name3,5-difluoro-1-phenylpiperazine
PubChem CID176905401
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,5-difluoro-1-phenylpiperazine
SMILESFC1CN(c2ccccc2)CC(F)N1
InChIInChI=1S/C10H12F2N2/c11-9-6-14(7-10(12)13-9)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyQCLUEWUWHGBQLF-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 84766951
3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine
CID 153490764
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
(2R,6S)-2,4,6-triphenylmorpholine
CID 102292623
1-fluoro-4-phenylpiperazine
CID 23450926
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
2-phenyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 72615288
2,6-dimethyl-4-phenyl-1-propan-2-ylpiperazine
CID 166503562
(4S)-1-phenylimidazolidine-4-carboxylic acid
CID 166481932
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-phenylpiperazine?
The IUPAC name of 3,5-difluoro-1-phenylpiperazine (CID 176905401) is 3,5-difluoro-1-phenylpiperazine.
What is the SMILES notation for 3,5-difluoro-1-phenylpiperazine?
The canonical SMILES for 3,5-difluoro-1-phenylpiperazine is FC1CN(c2ccccc2)CC(F)N1.
What is the InChIKey of 3,5-difluoro-1-phenylpiperazine?
The InChIKey is QCLUEWUWHGBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-9-6-14(7-10(12)13-9)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2.
What are the key properties of 3,5-difluoro-1-phenylpiperazine?
3,5-difluoro-1-phenylpiperazine has a molecular weight of 198.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-phenylpiperazine is sourced from PubChem (CID 176905401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).