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

C8H10F2N4O2 — CID 82002910

IUPAC3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1C(F)F
InChIInChI=1S/C8H10F2N4O2/c9-7(10)8-11-12-13-14(8)5(3-6(15)16)4-1-2-4/h4-5,7H,1-3H2,(H,15,16)
InChIKeyACBGGUZMQNBMDB-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.04
Rot. Bonds5

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

3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid (PubChem CID 82002910) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
PubChem CID82002910
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1C(F)F
InChIInChI=1S/C8H10F2N4O2/c9-7(10)8-11-12-13-14(8)5(3-6(15)16)4-1-2-4/h4-5,7H,1-3H2,(H,15,16)
InChIKeyACBGGUZMQNBMDB-UHFFFAOYSA-N
XLogP1.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.04
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-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid (CID 82002910) is 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1C(F)F.
What is the InChIKey of 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is ACBGGUZMQNBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-7(10)8-11-12-13-14(8)5(3-6(15)16)4-1-2-4/h4-5,7H,1-3H2,(H,15,16).
What are the key properties of 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 232.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82002910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).