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

C12H18F2N4O3 — CID 103213522

IUPAC1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2CCOCC(F)F)CCCC1
InChIInChI=1S/C12H18F2N4O3/c13-9(14)7-21-6-3-10-15-16-17-18(10)8-12(11(19)20)4-1-2-5-12/h9H,1-8H2,(H,19,20)
InChIKeyGAFLZYWRNBKHQY-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.14
Rot. Bonds8

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

1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103213522) has the molecular formula C12H18F2N4O3 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID103213522
Molecular FormulaC12H18F2N4O3
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2CCOCC(F)F)CCCC1
InChIInChI=1S/C12H18F2N4O3/c13-9(14)7-21-6-3-10-15-16-17-18(10)8-12(11(19)20)4-1-2-5-12/h9H,1-8H2,(H,19,20)
InChIKeyGAFLZYWRNBKHQY-UHFFFAOYSA-N
XLogP1.14
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.14
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]cyclobutane-1-carboxylic acid
CID 103213526
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-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440757

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (CID 103213522) is 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2CCOCC(F)F)CCCC1.
What is the InChIKey of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GAFLZYWRNBKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O3/c13-9(14)7-21-6-3-10-15-16-17-18(10)8-12(11(19)20)4-1-2-5-12/h9H,1-8H2,(H,19,20).
What are the key properties of 1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.14, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103213522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).