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

C8H14FN5 — CID 107061577

IUPAC5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole
SMILESCn1nnc(CC(F)C2CCCN2)n1
InChIInChI=1S/C8H14FN5/c1-14-12-8(11-13-14)5-6(9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeyWVRCKOYYZNZRDY-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.16
Rot. Bonds3

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

5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole (PubChem CID 107061577) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole
PubChem CID107061577
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole
SMILESCn1nnc(CC(F)C2CCCN2)n1
InChIInChI=1S/C8H14FN5/c1-14-12-8(11-13-14)5-6(9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeyWVRCKOYYZNZRDY-UHFFFAOYSA-N
XLogP-0.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048754
5,5,5-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050237
N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050239
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 107050240
2-[(2-Methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine
CID 107054763
5-[(3-Fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole
CID 107061518
2-[1-Fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine
CID 107061573
4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine
CID 113910036
5-(1-Fluoro-1-pyrrolidin-2-ylethyl)-2-methyltetrazole
CID 130826231
5-Tert-butyl-2-(pyrrolidin-2-ylmethyl)tetrazole
CID 58095701
(R)-2-Methyl-5-(pyrrolidin-2-yl)-2H-tetrazole
CID 59412320
2-tert-Butyl-5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole
CID 59412321

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole (CID 107061577) is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole.
What is the SMILES notation for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The canonical SMILES for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole is Cn1nnc(CC(F)C2CCCN2)n1.
What is the InChIKey of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole?
The InChIKey is WVRCKOYYZNZRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c1-14-12-8(11-13-14)5-6(9)7-3-2-4-10-7/h6-7,10H,2-5H2,1H3.
What are the key properties of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole?
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole has a molecular weight of 199.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole is sourced from PubChem (CID 107061577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).