2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride

C9H11ClFN5 — CID 154856464

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C9H10FN5.ClH/c10-8-4-2-1-3-7(8)9-12-14-15(13-9)6-5-11;/h1-4H,5-6,11H2;1H
InChIKeyGZHREKUDQFZYAT-UHFFFAOYSA-N
MW243.67 g/mol
LogP0.86
Rot. Bonds3

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride

2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride (PubChem CID 154856464) has the molecular formula C9H11ClFN5 and a molecular weight of 243.67 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
PubChem CID154856464
Molecular FormulaC9H11ClFN5
Molecular Weight243.67 g/mol
Exact Mass243.07
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C9H10FN5.ClH/c10-8-4-2-1-3-7(8)9-12-14-15(13-9)6-5-11;/h1-4H,5-6,11H2;1H
InChIKeyGZHREKUDQFZYAT-UHFFFAOYSA-N
XLogP0.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol
CID 135371573
4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1258305
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
2-(benzotriazol-2-yl)ethanamine
CID 10487202
N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 1168126
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline;N-[2-[5-[2-[3-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 158563763
[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
CID 105458542
5-(2,6-difluorophenyl)-2-ethyltetrazole
CID 143805433
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride (CID 154856464) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride is Cl.NCCn1nnc(-c2ccccc2F)n1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride?
The InChIKey is GZHREKUDQFZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5.ClH/c10-8-4-2-1-3-7(8)9-12-14-15(13-9)6-5-11;/h1-4H,5-6,11H2;1H.
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride?
2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride has a molecular weight of 243.67 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 154856464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).