5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole

C10H7F4N3 — CID 174935366

IUPAC5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
SMILESFC(F)c1cccc(-n2nncc2C(F)F)c1
InChIInChI=1S/C10H7F4N3/c11-9(12)6-2-1-3-7(4-6)17-8(10(13)14)5-15-16-17/h1-5,9-10H
InChIKeyGZWKGECFCVLGOC-UHFFFAOYSA-N
MW245.18 g/mol
LogP3.14
Rot. Bonds3

About 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole

5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole (PubChem CID 174935366) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
PubChem CID174935366
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
SMILESFC(F)c1cccc(-n2nncc2C(F)F)c1
InChIInChI=1S/C10H7F4N3/c11-9(12)6-2-1-3-7(4-6)17-8(10(13)14)5-15-16-17/h1-5,9-10H
InChIKeyGZWKGECFCVLGOC-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole?
The IUPAC name of 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole (CID 174935366) is 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole.
What is the SMILES notation for 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole?
The canonical SMILES for 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole is FC(F)c1cccc(-n2nncc2C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole?
The InChIKey is GZWKGECFCVLGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c11-9(12)6-2-1-3-7(4-6)17-8(10(13)14)5-15-16-17/h1-5,9-10H.
What are the key properties of 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole?
5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole has a molecular weight of 245.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole is sourced from PubChem (CID 174935366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).