4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid

C7H10F2N4O3 — CID 103160431

IUPAC4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(F)F
InChIInChI=1S/C7H10F2N4O3/c1-16-4(2-5(14)15)3-13-7(6(8)9)10-11-12-13/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyRUCOOHWLORRJLL-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.10
Rot. Bonds6

About 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160431) has the molecular formula C7H10F2N4O3 and a molecular weight of 236.18 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160431
Molecular FormulaC7H10F2N4O3
Molecular Weight236.18 g/mol
Exact Mass236.07
IUPAC Name4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(F)F
InChIInChI=1S/C7H10F2N4O3/c1-16-4(2-5(14)15)3-13-7(6(8)9)10-11-12-13/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyRUCOOHWLORRJLL-UHFFFAOYSA-N
XLogP0.10
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160431) is 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1C(F)F.
What is the InChIKey of 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is RUCOOHWLORRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O3/c1-16-4(2-5(14)15)3-13-7(6(8)9)10-11-12-13/h4,6H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 236.18 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).