4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline

C14H11F2N5 — CID 61378117

IUPAC4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1F
InChIInChI=1S/C14H11F2N5/c1-8-2-4-10(7-12(8)16)21-14(18-19-20-21)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3
InChIKeyHWUUTKXSFDZMPW-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.50
Rot. Bonds2

About 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline

4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378117) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61378117
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1F
InChIInChI=1S/C14H11F2N5/c1-8-2-4-10(7-12(8)16)21-14(18-19-20-21)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3
InChIKeyHWUUTKXSFDZMPW-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377726
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 65436622
2-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61354257
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61376050
4-fluoro-2-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61351479
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
4-chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
4-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 63334862
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454889
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline (CID 61378117) is 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(-n2nnnc2-c2cc(F)ccc2N)cc1F.
What is the InChIKey of 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is HWUUTKXSFDZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c1-8-2-4-10(7-12(8)16)21-14(18-19-20-21)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3.
What are the key properties of 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline?
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 287.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).