1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine

C9H9ClFN5 — CID 103086014

IUPAC1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFN5/c1-5(12)9-13-14-15-16(9)6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3
InChIKeyOYEZSMKHRHRMDA-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.47
Rot. Bonds2

About 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine

1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine (PubChem CID 103086014) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
PubChem CID103086014
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFN5/c1-5(12)9-13-14-15-16(9)6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3
InChIKeyOYEZSMKHRHRMDA-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chloro-3-nitrophenyl)tetrazol-5-yl]ethanamine
CID 82227925
2-chloro-5-(5-propan-2-yltetrazol-1-yl)aniline
CID 62075182
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114705178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine (CID 103086014) is 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine?
The InChIKey is OYEZSMKHRHRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-5(12)9-13-14-15-16(9)6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine?
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine has a molecular weight of 241.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).