potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

C13H16F3KN4O — CID 175100888

IUPACpotassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1.[H-].[K+]
InChIInChI=1S/C13H15F3N4O.K.H/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;;/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);;/q;+1;-1
InChIKeyFSGHCZWZUUDPFP-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.23
Rot. Bonds5

About potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 175100888) has the molecular formula C13H16F3KN4O and a molecular weight of 340.39 g/mol. Its IUPAC name is potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Namepotassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID175100888
Molecular FormulaC13H16F3KN4O
Molecular Weight340.39 g/mol
Exact Mass340.09
IUPAC Namepotassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1.[H-].[K+]
InChIInChI=1S/C13H15F3N4O.K.H/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;;/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);;/q;+1;-1
InChIKeyFSGHCZWZUUDPFP-UHFFFAOYSA-N
XLogP0.23
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (CID 175100888) is potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is CCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1.[H-].[K+].
What is the InChIKey of potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is FSGHCZWZUUDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O.K.H/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;;/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);;/q;+1;-1.
What are the key properties of potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 340.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 175100888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).