3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid

C10H13F3N4O2 — CID 82003704

IUPAC3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-8-14-15-16-17(8)7(5-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyVEVAEROHEOKMGO-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.59
Rot. Bonds6

About 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid (PubChem CID 82003704) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
PubChem CID82003704
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-8-14-15-16-17(8)7(5-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyVEVAEROHEOKMGO-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid (CID 82003704) is 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1CCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The InChIKey is VEVAEROHEOKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-8-14-15-16-17(8)7(5-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid has a molecular weight of 278.23 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82003704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).