1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

C11H16F2N4O3 — CID 103213526

IUPAC1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2CCOCC(F)F)CCC1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)6-20-5-2-9-14-15-16-17(9)7-11(10(18)19)3-1-4-11/h8H,1-7H2,(H,18,19)
InChIKeyXYZRHRHGALBULF-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.75
Rot. Bonds8

About 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 103213526) has the molecular formula C11H16F2N4O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID103213526
Molecular FormulaC11H16F2N4O3
Molecular Weight290.27 g/mol
Exact Mass290.12
IUPAC Name1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2CCOCC(F)F)CCC1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)6-20-5-2-9-14-15-16-17(9)7-11(10(18)19)3-1-4-11/h8H,1-7H2,(H,18,19)
InChIKeyXYZRHRHGALBULF-UHFFFAOYSA-N
XLogP0.75
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 103213522
1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 103213515
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
2-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103213501
1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 103213512
1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 115447217
1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311517

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 103213526) is 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2CCOCC(F)F)CCC1.
What is the InChIKey of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is XYZRHRHGALBULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3/c12-8(13)6-20-5-2-9-14-15-16-17(9)7-11(10(18)19)3-1-4-11/h8H,1-7H2,(H,18,19).
What are the key properties of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103213526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).