3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline

C14H11F2N5 — CID 61376560

IUPAC3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1c(N)cc(-c2nnnn2-c2ccccc2F)cc1F
InChIInChI=1S/C14H11F2N5/c1-8-11(16)6-9(7-12(8)17)14-18-19-20-21(14)13-5-3-2-4-10(13)15/h2-7H,17H2,1H3
InChIKeyFYPGPMMQIRXCCN-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.50
Rot. Bonds2

About 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline

3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 61376560) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
PubChem CID61376560
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1c(N)cc(-c2nnnn2-c2ccccc2F)cc1F
InChIInChI=1S/C14H11F2N5/c1-8-11(16)6-9(7-12(8)17)14-18-19-20-21(14)13-5-3-2-4-10(13)15/h2-7H,17H2,1H3
InChIKeyFYPGPMMQIRXCCN-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

5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 103298122
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61376410
4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
CID 62098270
2-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028
4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61354005
3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 63925540
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378530
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline (CID 61376560) is 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline is Cc1c(N)cc(-c2nnnn2-c2ccccc2F)cc1F.
What is the InChIKey of 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is FYPGPMMQIRXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c1-8-11(16)6-9(7-12(8)17)14-18-19-20-21(14)13-5-3-2-4-10(13)15/h2-7H,17H2,1H3.
What are the key properties of 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline 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 3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61376560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).