5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole

C11H10F2N4 — CID 177336757

IUPAC5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole
SMILESFc1cc2c(c(-c3nn[nH]n3)c1F)CCCC2
InChIInChI=1S/C11H10F2N4/c12-8-5-6-3-1-2-4-7(6)9(10(8)13)11-14-16-17-15-11/h5H,1-4H2,(H,14,15,16,17)
InChIKeyJBTQVWSRQGJEFN-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.02
Rot. Bonds1

About 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole

5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole (PubChem CID 177336757) has the molecular formula C11H10F2N4 and a molecular weight of 236.22 g/mol. Its IUPAC name is 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole
PubChem CID177336757
Molecular FormulaC11H10F2N4
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Name5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole
SMILESFc1cc2c(c(-c3nn[nH]n3)c1F)CCCC2
InChIInChI=1S/C11H10F2N4/c12-8-5-6-3-1-2-4-7(6)9(10(8)13)11-14-16-17-15-11/h5H,1-4H2,(H,14,15,16,17)
InChIKeyJBTQVWSRQGJEFN-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole?
The IUPAC name of 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole (CID 177336757) is 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole?
The canonical SMILES for 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole is Fc1cc2c(c(-c3nn[nH]n3)c1F)CCCC2.
What is the InChIKey of 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole?
The InChIKey is JBTQVWSRQGJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c12-8-5-6-3-1-2-4-7(6)9(10(8)13)11-14-16-17-15-11/h5H,1-4H2,(H,14,15,16,17).
What are the key properties of 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole?
5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole has a molecular weight of 236.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole is sourced from PubChem (CID 177336757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).