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

C5H6F2N4O2 — CID 66041016

IUPAC3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1C(F)F
InChIInChI=1S/C5H6F2N4O2/c6-4(7)5-8-9-10-11(5)2-1-3(12)13/h4H,1-2H2,(H,12,13)
InChIKeyZDGHYUNPOUCUIA-UHFFFAOYSA-N
MW192.12 g/mol
LogP0.09
Rot. Bonds4

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

3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041016) has the molecular formula C5H6F2N4O2 and a molecular weight of 192.12 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
PubChem CID66041016
Molecular FormulaC5H6F2N4O2
Molecular Weight192.12 g/mol
Exact Mass192.05
IUPAC Name3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1C(F)F
InChIInChI=1S/C5H6F2N4O2/c6-4(7)5-8-9-10-11(5)2-1-3(12)13/h4H,1-2H2,(H,12,13)
InChIKeyZDGHYUNPOUCUIA-UHFFFAOYSA-N
XLogP0.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-(Difluoromethyl)-1H-tetrazol-1-yl)acetic acid
CID 66043573
2-[1-(2-Fluoroethyl)tetrazol-5-yl]acetic acid
CID 84654811
4,4-Difluoro-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]butanoic acid
CID 176393359
3-[5-(Trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 65813767
4-[5-(Trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 65815883
2-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]acetic acid
CID 66008475
2-[5-(3,3,3-Trifluoropropyl)tetrazol-1-yl]acetic acid
CID 66040573
3-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041207
2-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041373
3-[5-(Difluoromethyl)tetrazol-1-yl]butanoic acid
CID 66041423
2-[5-(Trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041576
3-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]propanoic acid
CID 66042023

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid (CID 66041016) is 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1C(F)F.
What is the InChIKey of 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is ZDGHYUNPOUCUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O2/c6-4(7)5-8-9-10-11(5)2-1-3(12)13/h4H,1-2H2,(H,12,13).
What are the key properties of 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid?
3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 192.12 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).