N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine

C7H10F3N5 — CID 62736510

IUPACN-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cn1nnnc1CNC1CC1
InChIInChI=1S/C7H10F3N5/c8-7(9,10)4-15-6(12-13-14-15)3-11-5-1-2-5/h5,11H,1-4H2
InChIKeyTVVZLHNXKLRMJO-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.49
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62736510) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62736510
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cn1nnnc1CNC1CC1
InChIInChI=1S/C7H10F3N5/c8-7(9,10)4-15-6(12-13-14-15)3-11-5-1-2-5/h5,11H,1-4H2
InChIKeyTVVZLHNXKLRMJO-UHFFFAOYSA-N
XLogP0.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62736510) is N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine is FC(F)(F)Cn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is TVVZLHNXKLRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c8-7(9,10)4-15-6(12-13-14-15)3-11-5-1-2-5/h5,11H,1-4H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 221.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).