5-(difluoromethyl)-1-ethyltriazole

C5H7F2N3 — CID 150329350

IUPAC5-(difluoromethyl)-1-ethyltriazole
SMILESCCn1nncc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-10-4(5(6)7)3-8-9-10/h3,5H,2H2,1H3
InChIKeyGPHYYQFWXGOEFO-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.24
Rot. Bonds2

About 5-(difluoromethyl)-1-ethyltriazole

5-(difluoromethyl)-1-ethyltriazole (PubChem CID 150329350) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-ethyltriazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-ethyltriazole
PubChem CID150329350
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name5-(difluoromethyl)-1-ethyltriazole
SMILESCCn1nncc1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-10-4(5(6)7)3-8-9-10/h3,5H,2H2,1H3
InChIKeyGPHYYQFWXGOEFO-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-ethyltriazole?
The IUPAC name of 5-(difluoromethyl)-1-ethyltriazole (CID 150329350) is 5-(difluoromethyl)-1-ethyltriazole.
What is the SMILES notation for 5-(difluoromethyl)-1-ethyltriazole?
The canonical SMILES for 5-(difluoromethyl)-1-ethyltriazole is CCn1nncc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-ethyltriazole?
The InChIKey is GPHYYQFWXGOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-10-4(5(6)7)3-8-9-10/h3,5H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-ethyltriazole?
5-(difluoromethyl)-1-ethyltriazole has a molecular weight of 147.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-ethyltriazole is sourced from PubChem (CID 150329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).