2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine

C6H11F2N5 — CID 115018366

IUPAC2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine
SMILESCC(C)n1nnnc1C(F)(F)CN
InChIInChI=1S/C6H11F2N5/c1-4(2)13-5(10-11-12-13)6(7,8)3-9/h4H,3,9H2,1-2H3
InChIKeyOEALNUUAAPJKLX-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.30
Rot. Bonds3

About 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine

2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine (PubChem CID 115018366) has the molecular formula C6H11F2N5 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine
PubChem CID115018366
Molecular FormulaC6H11F2N5
Molecular Weight191.19 g/mol
Exact Mass191.10
IUPAC Name2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine
SMILESCC(C)n1nnnc1C(F)(F)CN
InChIInChI=1S/C6H11F2N5/c1-4(2)13-5(10-11-12-13)6(7,8)3-9/h4H,3,9H2,1-2H3
InChIKeyOEALNUUAAPJKLX-UHFFFAOYSA-N
XLogP0.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine (CID 115018366) is 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine is CC(C)n1nnnc1C(F)(F)CN.
What is the InChIKey of 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine?
The InChIKey is OEALNUUAAPJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N5/c1-4(2)13-5(10-11-12-13)6(7,8)3-9/h4H,3,9H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine?
2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine has a molecular weight of 191.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-propan-2-yltetrazol-5-yl)ethanamine is sourced from PubChem (CID 115018366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).