1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole

C6H4F6N2O — CID 162542058

IUPAC1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole
SMILESO=C(C(F)(F)F)C(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3F6O.C3H4N2/c4-2(5,6)1(10)3(7,8)9;1-2-4-5-3-1/h;1-3H,(H,4,5)
InChIKeyLWGNMQKWKBVRAD-UHFFFAOYSA-N
MW234.10 g/mol
LogP2.09
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole

1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole (PubChem CID 162542058) has the molecular formula C6H4F6N2O and a molecular weight of 234.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole
PubChem CID162542058
Molecular FormulaC6H4F6N2O
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole
SMILESO=C(C(F)(F)F)C(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3F6O.C3H4N2/c4-2(5,6)1(10)3(7,8)9;1-2-4-5-3-1/h;1-3H,(H,4,5)
InChIKeyLWGNMQKWKBVRAD-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159553216
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole (CID 162542058) is 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole is O=C(C(F)(F)F)C(F)(F)F.c1cn[nH]c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole?
The InChIKey is LWGNMQKWKBVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.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 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole?
1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole has a molecular weight of 234.10 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole is sourced from PubChem (CID 162542058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).