ethane;4-(trifluoromethyl)-1H-pyrazole

C6H9F3N2 — CID 145257576

IUPACethane;4-(trifluoromethyl)-1H-pyrazole
SMILESCC.FC(F)(F)c1cn[nH]c1
InChIInChI=1S/C4H3F3N2.C2H6/c5-4(6,7)3-1-8-9-2-3;1-2/h1-2H,(H,8,9);1-2H3
InChIKeyNVJWFENZKQHBBI-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.45
Rot. Bonds

About ethane;4-(trifluoromethyl)-1H-pyrazole

ethane;4-(trifluoromethyl)-1H-pyrazole (PubChem CID 145257576) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is ethane;4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Nameethane;4-(trifluoromethyl)-1H-pyrazole
PubChem CID145257576
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Nameethane;4-(trifluoromethyl)-1H-pyrazole
SMILESCC.FC(F)(F)c1cn[nH]c1
InChIInChI=1S/C4H3F3N2.C2H6/c5-4(6,7)3-1-8-9-2-3;1-2/h1-2H,(H,8,9);1-2H3
InChIKeyNVJWFENZKQHBBI-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of ethane;4-(trifluoromethyl)-1H-pyrazole (CID 145257576) is ethane;4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for ethane;4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for ethane;4-(trifluoromethyl)-1H-pyrazole is CC.FC(F)(F)c1cn[nH]c1.
What is the InChIKey of ethane;4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NVJWFENZKQHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.C2H6/c5-4(6,7)3-1-8-9-2-3;1-2/h1-2H,(H,8,9);1-2H3.
What are the key properties of ethane;4-(trifluoromethyl)-1H-pyrazole?
ethane;4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 166.15 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 145257576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).