2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one

C12H8F4N2O — CID 114032783

IUPAC2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)F
InChIInChI=1S/C12H8F4N2O/c13-11(14)12(15,16)10(19)8-6-17-18(7-8)9-4-2-1-3-5-9/h1-7,11H
InChIKeyPIDKKOSRCMZQCO-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.96
Rot. Bonds4

About 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 114032783) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID114032783
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)F
InChIInChI=1S/C12H8F4N2O/c13-11(14)12(15,16)10(19)8-6-17-18(7-8)9-4-2-1-3-5-9/h1-7,11H
InChIKeyPIDKKOSRCMZQCO-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
(E)-4,4,4-trifluoro-3-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 82534659
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160
(Z)-2-fluoro-3-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 81470345
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one (CID 114032783) is 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one is O=C(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is PIDKKOSRCMZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-11(14)12(15,16)10(19)8-6-17-18(7-8)9-4-2-1-3-5-9/h1-7,11H.
What are the key properties of 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 272.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 114032783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).