[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine

C5H7F4N5 — CID 106294012

IUPAC[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CC(F)(F)C(F)F
InChIInChI=1S/C5H7F4N5/c6-4(7)5(8,9)2-14-3(1-10)11-12-13-14/h4H,1-2,10H2
InChIKeyXRSGVMSJTJAOFO-UHFFFAOYSA-N
MW213.14 g/mol
LogP0.03
Rot. Bonds4

About [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine

[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine (PubChem CID 106294012) has the molecular formula C5H7F4N5 and a molecular weight of 213.14 g/mol. Its IUPAC name is [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine
PubChem CID106294012
Molecular FormulaC5H7F4N5
Molecular Weight213.14 g/mol
Exact Mass213.06
IUPAC Name[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CC(F)(F)C(F)F
InChIInChI=1S/C5H7F4N5/c6-4(7)5(8,9)2-14-3(1-10)11-12-13-14/h4H,1-2,10H2
InChIKeyXRSGVMSJTJAOFO-UHFFFAOYSA-N
XLogP0.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine (CID 106294012) is [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine is NCc1nnnn1CC(F)(F)C(F)F.
What is the InChIKey of [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine?
The InChIKey is XRSGVMSJTJAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4N5/c6-4(7)5(8,9)2-14-3(1-10)11-12-13-14/h4H,1-2,10H2.
What are the key properties of [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine?
[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine has a molecular weight of 213.14 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 106294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).