5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole

C8H14FN5 — CID 130826231

IUPAC5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole
SMILESCn1nnc(C(C)(F)C2CCCN2)n1
InChIInChI=1S/C8H14FN5/c1-8(9,6-4-3-5-10-6)7-11-13-14(2)12-7/h6,10H,3-5H2,1-2H3
InChIKeyJKWJZSZGLTYQAA-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.15
Rot. Bonds2

About 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole

5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole (PubChem CID 130826231) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole
PubChem CID130826231
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole
SMILESCn1nnc(C(C)(F)C2CCCN2)n1
InChIInChI=1S/C8H14FN5/c1-8(9,6-4-3-5-10-6)7-11-13-14(2)12-7/h6,10H,3-5H2,1-2H3
InChIKeyJKWJZSZGLTYQAA-UHFFFAOYSA-N
XLogP0.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The IUPAC name of 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole (CID 130826231) is 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole.
What is the SMILES notation for 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The canonical SMILES for 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole is Cn1nnc(C(C)(F)C2CCCN2)n1.
What is the InChIKey of 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The InChIKey is JKWJZSZGLTYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c1-8(9,6-4-3-5-10-6)7-11-13-14(2)12-7/h6,10H,3-5H2,1-2H3.
What are the key properties of 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole?
5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole has a molecular weight of 199.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole is sourced from PubChem (CID 130826231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).