ethane;4-(trifluoromethyl)-2H-triazole

C5H8F3N3 — CID 177142092

IUPACethane;4-(trifluoromethyl)-2H-triazole
SMILESCC.FC(F)(F)c1cn[nH]n1
InChIInChI=1S/C3H2F3N3.C2H6/c4-3(5,6)2-1-7-9-8-2;1-2/h1H,(H,7,8,9);1-2H3
InChIKeySRVFFSCVYRQHMM-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.85
Rot. Bonds

About ethane;4-(trifluoromethyl)-2H-triazole

ethane;4-(trifluoromethyl)-2H-triazole (PubChem CID 177142092) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is ethane;4-(trifluoromethyl)-2H-triazole.

Molecular Properties

Compound Nameethane;4-(trifluoromethyl)-2H-triazole
PubChem CID177142092
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC Nameethane;4-(trifluoromethyl)-2H-triazole
SMILESCC.FC(F)(F)c1cn[nH]n1
InChIInChI=1S/C3H2F3N3.C2H6/c4-3(5,6)2-1-7-9-8-2;1-2/h1H,(H,7,8,9);1-2H3
InChIKeySRVFFSCVYRQHMM-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethyl)-2H-triazole?
The IUPAC name of ethane;4-(trifluoromethyl)-2H-triazole (CID 177142092) is ethane;4-(trifluoromethyl)-2H-triazole.
What is the SMILES notation for ethane;4-(trifluoromethyl)-2H-triazole?
The canonical SMILES for ethane;4-(trifluoromethyl)-2H-triazole is CC.FC(F)(F)c1cn[nH]n1.
What is the InChIKey of ethane;4-(trifluoromethyl)-2H-triazole?
The InChIKey is SRVFFSCVYRQHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3.C2H6/c4-3(5,6)2-1-7-9-8-2;1-2/h1H,(H,7,8,9);1-2H3.
What are the key properties of ethane;4-(trifluoromethyl)-2H-triazole?
ethane;4-(trifluoromethyl)-2H-triazole has a molecular weight of 167.13 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethyl)-2H-triazole is sourced from PubChem (CID 177142092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).