1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole

C8H10F2N6 — CID 84586024

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole
SMILESCCc1nnnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6/c1-2-6-12-13-14-16(6)5-7-11-3-4-15(7)8(9)10/h3-4,8H,2,5H2,1H3
InChIKeyMQJJTWYJCTZLKJ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.88
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole (PubChem CID 84586024) has the molecular formula C8H10F2N6 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole
PubChem CID84586024
Molecular FormulaC8H10F2N6
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole
SMILESCCc1nnnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6/c1-2-6-12-13-14-16(6)5-7-11-3-4-15(7)8(9)10/h3-4,8H,2,5H2,1H3
InChIKeyMQJJTWYJCTZLKJ-UHFFFAOYSA-N
XLogP0.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole (CID 84586024) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole is CCc1nnnn1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole?
The InChIKey is MQJJTWYJCTZLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6/c1-2-6-12-13-14-16(6)5-7-11-3-4-15(7)8(9)10/h3-4,8H,2,5H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole has a molecular weight of 228.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole is sourced from PubChem (CID 84586024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).