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

C7H9F3N4O2 — CID 66042029

IUPAC3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-1-5-11-12-13-14(5)4-2-6(15)16/h1-4H2,(H,15,16)
InChIKeyRXAHZJYVTCYSOE-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.64
Rot. Bonds5

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

3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid (PubChem CID 66042029) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
PubChem CID66042029
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)3-1-5-11-12-13-14(5)4-2-6(15)16/h1-4H2,(H,15,16)
InChIKeyRXAHZJYVTCYSOE-UHFFFAOYSA-N
XLogP0.64
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(Difluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041016
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-(3,3,3-Trifluoropropyl)tetrazol-1-yl]propanoic acid
CID 66041990
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-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid (CID 66042029) is 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1CCC(F)(F)F.
What is the InChIKey of 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
The InChIKey is RXAHZJYVTCYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)3-1-5-11-12-13-14(5)4-2-6(15)16/h1-4H2,(H,15,16).
What are the key properties of 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid?
3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid has a molecular weight of 238.17 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).