4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine

C11H13ClFN5 — CID 114182235

IUPAC4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN5/c12-9-5-3-4-8(10(9)13)11-15-16-17-18(11)7-2-1-6-14/h3-5H,1-2,6-7,14H2
InChIKeyQAMRGKLRKCQBMB-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.87
Rot. Bonds5

About 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine

4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182235) has the molecular formula C11H13ClFN5 and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182235
Molecular FormulaC11H13ClFN5
Molecular Weight269.71 g/mol
Exact Mass269.08
IUPAC Name4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN5/c12-9-5-3-4-8(10(9)13)11-15-16-17-18(11)7-2-1-6-14/h3-5H,1-2,6-7,14H2
InChIKeyQAMRGKLRKCQBMB-UHFFFAOYSA-N
XLogP1.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562
2-chloro-6-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115548061
4-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butan-1-amine
CID 84759025
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81262480
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
CID 115547909

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine (CID 114182235) is 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1cccc(Cl)c1F.
What is the InChIKey of 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is QAMRGKLRKCQBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN5/c12-9-5-3-4-8(10(9)13)11-15-16-17-18(11)7-2-1-6-14/h3-5H,1-2,6-7,14H2.
What are the key properties of 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 269.71 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).