1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine

C8H14F3N5 — CID 107064717

IUPAC1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-3-4-12-6(8(9,10)11)5-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3
InChIKeyQRZVVBXOFHKSSK-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.68
Rot. Bonds5

About 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine

1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (PubChem CID 107064717) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
PubChem CID107064717
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nnn(C)n1)C(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-3-4-12-6(8(9,10)11)5-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3
InChIKeyQRZVVBXOFHKSSK-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine (CID 107064717) is 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine is CCCNC(Cc1nnn(C)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
The InChIKey is QRZVVBXOFHKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-3-4-12-6(8(9,10)11)5-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine?
1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine has a molecular weight of 237.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107064717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).