2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

C9H9F2N5 — CID 2804192

IUPAC2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCN(C)c1c(F)cc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C9H9F2N5/c1-16(2)8-6(10)3-5(4-7(8)11)9-12-14-15-13-9/h3-4H,1-2H3,(H,12,13,14,15)
InChIKeyHXPUWFONCVJJJH-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.21
Rot. Bonds2

About 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 2804192) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID2804192
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCN(C)c1c(F)cc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C9H9F2N5/c1-16(2)8-6(10)3-5(4-7(8)11)9-12-14-15-13-9/h3-4H,1-2H3,(H,12,13,14,15)
InChIKeyHXPUWFONCVJJJH-UHFFFAOYSA-N
XLogP1.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline (CID 2804192) is 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline is CN(C)c1c(F)cc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is HXPUWFONCVJJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c1-16(2)8-6(10)3-5(4-7(8)11)9-12-14-15-13-9/h3-4H,1-2H3,(H,12,13,14,15).
What are the key properties of 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 225.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 2804192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).