N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine

C8H12F3N5 — CID 63228078

IUPACN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCn1nnnc1CNC1CC1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)3-4-16-7(13-14-15-16)5-12-6-1-2-6/h6,12H,1-5H2
InChIKeyVZARWXYKJXBTAL-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.88
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 63228078) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID63228078
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCn1nnnc1CNC1CC1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)3-4-16-7(13-14-15-16)5-12-6-1-2-6/h6,12H,1-5H2
InChIKeyVZARWXYKJXBTAL-UHFFFAOYSA-N
XLogP0.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 63228078) is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine is FC(F)(F)CCn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is VZARWXYKJXBTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c9-8(10,11)3-4-16-7(13-14-15-16)5-12-6-1-2-6/h6,12H,1-5H2.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 235.21 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63228078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).