N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine

C7H11F4N5 — CID 106294017

IUPACN-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CC(F)(F)C(F)F
InChIInChI=1S/C7H11F4N5/c1-4(12-2)5-13-14-15-16(5)3-7(10,11)6(8)9/h4,6,12H,3H2,1-2H3
InChIKeyWNJRBZUDYUTHFM-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine (PubChem CID 106294017) has the molecular formula C7H11F4N5 and a molecular weight of 241.19 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
PubChem CID106294017
Molecular FormulaC7H11F4N5
Molecular Weight241.19 g/mol
Exact Mass241.10
IUPAC NameN-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CC(F)(F)C(F)F
InChIInChI=1S/C7H11F4N5/c1-4(12-2)5-13-14-15-16(5)3-7(10,11)6(8)9/h4,6,12H,3H2,1-2H3
InChIKeyWNJRBZUDYUTHFM-UHFFFAOYSA-N
XLogP0.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.85
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 N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine (CID 106294017) is N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1CC(F)(F)C(F)F.
What is the InChIKey of N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine?
The InChIKey is WNJRBZUDYUTHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N5/c1-4(12-2)5-13-14-15-16(5)3-7(10,11)6(8)9/h4,6,12H,3H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine has a molecular weight of 241.19 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 106294017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).