3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid

C10H13F3N4O3 — CID 103213550

IUPAC3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)5-20-4-8-14-15-16-17(8)7(3-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyFPZNQJALILVDTO-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.18
Rot. Bonds7

About 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid (PubChem CID 103213550) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid
PubChem CID103213550
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)5-20-4-8-14-15-16-17(8)7(3-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyFPZNQJALILVDTO-UHFFFAOYSA-N
XLogP1.18
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid (CID 103213550) is 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1COCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is FPZNQJALILVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c11-10(12,13)5-20-4-8-14-15-16-17(8)7(3-9(18)19)6-1-2-6/h6-7H,1-5H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 294.23 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 103213550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).