5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

C8H14F3N5 — CID 107042610

IUPAC5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCn1nnc(CNCCCCC(F)(F)F)n1
InChIInChI=1S/C8H14F3N5/c1-16-14-7(13-15-16)6-12-5-3-2-4-8(9,10)11/h12H,2-6H2,1H3
InChIKeyZCFNLMAKQCBORT-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.03
Rot. Bonds6

About 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (PubChem CID 107042610) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
PubChem CID107042610
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCn1nnc(CNCCCCC(F)(F)F)n1
InChIInChI=1S/C8H14F3N5/c1-16-14-7(13-15-16)6-12-5-3-2-4-8(9,10)11/h12H,2-6H2,1H3
InChIKeyZCFNLMAKQCBORT-UHFFFAOYSA-N
XLogP1.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (CID 107042610) is 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is Cn1nnc(CNCCCCC(F)(F)F)n1.
What is the InChIKey of 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is ZCFNLMAKQCBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-16-14-7(13-15-16)6-12-5-3-2-4-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 237.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107042610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).