5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole

C6H8FN5 — CID 174688845

IUPAC5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
SMILESCn1nnc([C@H]2C=C(F)CN2)n1
InChIInChI=1S/C6H8FN5/c1-12-10-6(9-11-12)5-2-4(7)3-8-5/h2,5,8H,3H2,1H3/t5-/m1/s1
InChIKeyNNLCXQUCEZDSQE-RXMQYKEDSA-N
MW169.16 g/mol
LogP-0.29
Rot. Bonds1

About 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole

5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole (PubChem CID 174688845) has the molecular formula C6H8FN5 and a molecular weight of 169.16 g/mol. Its IUPAC name is 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
PubChem CID174688845
Molecular FormulaC6H8FN5
Molecular Weight169.16 g/mol
Exact Mass169.08
IUPAC Name5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
SMILESCn1nnc([C@H]2C=C(F)CN2)n1
InChIInChI=1S/C6H8FN5/c1-12-10-6(9-11-12)5-2-4(7)3-8-5/h2,5,8H,3H2,1H3/t5-/m1/s1
InChIKeyNNLCXQUCEZDSQE-RXMQYKEDSA-N
XLogP-0.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole?
The IUPAC name of 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole (CID 174688845) is 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole?
The canonical SMILES for 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole is Cn1nnc([C@H]2C=C(F)CN2)n1.
What is the InChIKey of 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole?
The InChIKey is NNLCXQUCEZDSQE-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8FN5/c1-12-10-6(9-11-12)5-2-4(7)3-8-5/h2,5,8H,3H2,1H3/t5-/m1/s1.
What are the key properties of 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole?
5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole has a molecular weight of 169.16 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole is sourced from PubChem (CID 174688845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).