N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine

C8H14F3N5 — CID 107048754

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

About N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107048754) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107048754
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nnn(C)n1)CC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-3-12-6(5-8(9,10)11)4-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3
InChIKeyCKQTYGOXMLIDPH-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 N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107048754) is N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine is CCNC(Cc1nnn(C)n1)CC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is CKQTYGOXMLIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-3-12-6(5-8(9,10)11)4-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-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 N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107048754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).