1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine

C7H4ClF2N5 — CID 83083270

IUPAC1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C7H4ClF2N5/c8-4-1-3(9)2-5(10)6(4)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyMFIFMPCRLYLYMD-UHFFFAOYSA-N
MW231.59 g/mol
LogP1.18
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine

1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine (PubChem CID 83083270) has the molecular formula C7H4ClF2N5 and a molecular weight of 231.59 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine
PubChem CID83083270
Molecular FormulaC7H4ClF2N5
Molecular Weight231.59 g/mol
Exact Mass231.01
IUPAC Name1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C7H4ClF2N5/c8-4-1-3(9)2-5(10)6(4)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyMFIFMPCRLYLYMD-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.59
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine (CID 83083270) is 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine is Nc1nnnn1-c1c(F)cc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine?
The InChIKey is MFIFMPCRLYLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N5/c8-4-1-3(9)2-5(10)6(4)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14).
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine?
1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine has a molecular weight of 231.59 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 83083270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).