1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole

C6H4Cl2F4N2O — CID 162542676

IUPAC1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole
SMILESO=C(C(F)(F)F)C(F)(Cl)Cl.c1cn[nH]c1
InChIInChI=1S/C3Cl2F4O.C3H4N2/c4-2(5,6)1(10)3(7,8)9;1-2-4-5-3-1/h;1-3H,(H,4,5)
InChIKeyVVQUVUJUBYFIJY-UHFFFAOYSA-N
MW267.01 g/mol
LogP2.63
Rot. Bonds1

About 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole

1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole (PubChem CID 162542676) has the molecular formula C6H4Cl2F4N2O and a molecular weight of 267.01 g/mol. Its IUPAC name is 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole.

Molecular Properties

Compound Name1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole
PubChem CID162542676
Molecular FormulaC6H4Cl2F4N2O
Molecular Weight267.01 g/mol
Exact Mass265.96
IUPAC Name1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole
SMILESO=C(C(F)(F)F)C(F)(Cl)Cl.c1cn[nH]c1
InChIInChI=1S/C3Cl2F4O.C3H4N2/c4-2(5,6)1(10)3(7,8)9;1-2-4-5-3-1/h;1-3H,(H,4,5)
InChIKeyVVQUVUJUBYFIJY-UHFFFAOYSA-N
XLogP2.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.01
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole?
The IUPAC name of 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole (CID 162542676) is 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole.
What is the SMILES notation for 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole?
The canonical SMILES for 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole is O=C(C(F)(F)F)C(F)(Cl)Cl.c1cn[nH]c1.
What is the InChIKey of 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole?
The InChIKey is VVQUVUJUBYFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F4O.C3H4N2/c4-2(5,6)1(10)3(7,8)9;1-2-4-5-3-1/h;1-3H,(H,4,5).
What are the key properties of 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole?
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole has a molecular weight of 267.01 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;1H-pyrazole is sourced from PubChem (CID 162542676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).