N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine

C8H14F3N5 — CID 63228032

IUPACN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-6(2)12-5-7-13-14-15-16(7)4-3-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyJOSFXXIVLGAIHO-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.12
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 63228032) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID63228032
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-6(2)12-5-7-13-14-15-16(7)4-3-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyJOSFXXIVLGAIHO-UHFFFAOYSA-N
XLogP1.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.12
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]propan-2-amine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine (CID 63228032) is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1CCC(F)(F)F.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is JOSFXXIVLGAIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-6(2)12-5-7-13-14-15-16(7)4-3-8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 237.23 g/mol, XLogP of 1.12, 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]propan-2-amine is sourced from PubChem (CID 63228032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).