2-(difluoromethyl)-5-ethyltetrazole

C4H6F2N4 — CID 59058902

IUPAC2-(difluoromethyl)-5-ethyltetrazole
SMILESCCc1nnn(C(F)F)n1
InChIInChI=1S/C4H6F2N4/c1-2-3-7-9-10(8-3)4(5)6/h4H,2H2,1H3
InChIKeyLDVSCWQRVJZPMC-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.63
Rot. Bonds2

About 2-(difluoromethyl)-5-ethyltetrazole

2-(difluoromethyl)-5-ethyltetrazole (PubChem CID 59058902) has the molecular formula C4H6F2N4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-ethyltetrazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-ethyltetrazole
PubChem CID59058902
Molecular FormulaC4H6F2N4
Molecular Weight148.12 g/mol
Exact Mass148.06
IUPAC Name2-(difluoromethyl)-5-ethyltetrazole
SMILESCCc1nnn(C(F)F)n1
InChIInChI=1S/C4H6F2N4/c1-2-3-7-9-10(8-3)4(5)6/h4H,2H2,1H3
InChIKeyLDVSCWQRVJZPMC-UHFFFAOYSA-N
XLogP0.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-ethyltetrazole?
The IUPAC name of 2-(difluoromethyl)-5-ethyltetrazole (CID 59058902) is 2-(difluoromethyl)-5-ethyltetrazole.
What is the SMILES notation for 2-(difluoromethyl)-5-ethyltetrazole?
The canonical SMILES for 2-(difluoromethyl)-5-ethyltetrazole is CCc1nnn(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-5-ethyltetrazole?
The InChIKey is LDVSCWQRVJZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4/c1-2-3-7-9-10(8-3)4(5)6/h4H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-ethyltetrazole?
2-(difluoromethyl)-5-ethyltetrazole has a molecular weight of 148.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-ethyltetrazole is sourced from PubChem (CID 59058902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).