5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole

C10H11FN4 — CID 173044094

IUPAC5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole
SMILESCCC(F)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C10H11FN4/c1-2-9(11)7-5-3-4-6-8(7)10-12-14-15-13-10/h3-6,9H,2H2,1H3,(H,12,13,14,15)
InChIKeyYFTOIQCIDGYYPT-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.29
Rot. Bonds3

About 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole

5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole (PubChem CID 173044094) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole
PubChem CID173044094
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole
SMILESCCC(F)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C10H11FN4/c1-2-9(11)7-5-3-4-6-8(7)10-12-14-15-13-10/h3-6,9H,2H2,1H3,(H,12,13,14,15)
InChIKeyYFTOIQCIDGYYPT-UHFFFAOYSA-N
XLogP2.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole (CID 173044094) is 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole is CCC(F)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole?
The InChIKey is YFTOIQCIDGYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-2-9(11)7-5-3-4-6-8(7)10-12-14-15-13-10/h3-6,9H,2H2,1H3,(H,12,13,14,15).
What are the key properties of 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole?
5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole has a molecular weight of 206.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluoropropyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 173044094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).