2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one

C13H13F5N2O — CID 2250218

IUPAC2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H13F5N2O/c14-12(15,13(16,17)18)11(21)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyCXQVOGZFLRDDTM-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.53
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 2250218) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID2250218
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H13F5N2O/c14-12(15,13(16,17)18)11(21)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyCXQVOGZFLRDDTM-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Butylacetanilide
CID 7051
Phenampromide
CID 8523
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
Phenylacetylglycine Dimethylamide
CID 19536
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
Felipyrine
CID 71108
Piperazine, 1-(cyclobutylcarbonyl)-4-phenyl-
CID 216017
N-Propylacetanilide
CID 17098
1-Cyclopropanecarbonyl-4-(4-fluorophenyl)piperazine
CID 757898
1-Phenylazetidin-2-one
CID 570854

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 2250218) is 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is CXQVOGZFLRDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c14-12(15,13(16,17)18)11(21)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 308.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2250218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).