ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline

C16H16F3N5O — CID 142468341

IUPACethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
SMILESCC.FC(F)(F)Oc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10F3N5O.C2H6/c15-14(16,17)23-10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13-19-21-22-20-13;1-2/h1-8,18H,(H,19,20,21,22);1-2H3
InChIKeyQZPNNFTZKSGJFY-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.54
Rot. Bonds4

About ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline

ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 142468341) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Nameethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID142468341
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Nameethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
SMILESCC.FC(F)(F)Oc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10F3N5O.C2H6/c15-14(16,17)23-10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13-19-21-22-20-13;1-2/h1-8,18H,(H,19,20,21,22);1-2H3
InChIKeyQZPNNFTZKSGJFY-UHFFFAOYSA-N
XLogP4.54
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline (CID 142468341) is ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline is CC.FC(F)(F)Oc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is QZPNNFTZKSGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O.C2H6/c15-14(16,17)23-10-7-5-9(6-8-10)18-12-4-2-1-3-11(12)13-19-21-22-20-13;1-2/h1-8,18H,(H,19,20,21,22);1-2H3.
What are the key properties of ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline?
ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 351.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 142468341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).