4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid

C8H11F3N4O2 — CID 66045109

IUPAC4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1CCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-3-6-12-13-14-15(6)5-1-2-7(16)17/h1-5H2,(H,16,17)
InChIKeyHZFYDOLUGWXKGY-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.03
Rot. Bonds6

About 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid

4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid (PubChem CID 66045109) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
PubChem CID66045109
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1CCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-3-6-12-13-14-15(6)5-1-2-7(16)17/h1-5H2,(H,16,17)
InChIKeyHZFYDOLUGWXKGY-UHFFFAOYSA-N
XLogP1.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid (CID 66045109) is 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1CCC(F)(F)F.
What is the InChIKey of 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The InChIKey is HZFYDOLUGWXKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)4-3-6-12-13-14-15(6)5-1-2-7(16)17/h1-5H2,(H,16,17).
What are the key properties of 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid has a molecular weight of 252.20 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).