5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole

C5H3ClF3N3 — CID 153410366

IUPAC5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole
SMILESFC(F)(F)/C=C(\Cl)c1ncn[nH]1
InChIInChI=1S/C5H3ClF3N3/c6-3(1-5(7,8)9)4-10-2-11-12-4/h1-2H,(H,10,11,12)/b3-1-
InChIKeyVDMMDVQVLLKGBE-IWQZZHSRSA-N
MW197.55 g/mol
LogP1.95
Rot. Bonds1

About 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole

5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole (PubChem CID 153410366) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole
PubChem CID153410366
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole
SMILESFC(F)(F)/C=C(\Cl)c1ncn[nH]1
InChIInChI=1S/C5H3ClF3N3/c6-3(1-5(7,8)9)4-10-2-11-12-4/h1-2H,(H,10,11,12)/b3-1-
InChIKeyVDMMDVQVLLKGBE-IWQZZHSRSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[chloro(difluoro)methyl]-1H-1,2,4-triazole
CID 54362937
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
N-[(E)-1-chloro-2-(1H-1,2,4-triazol-5-yl)ethenyl]methanimine
CID 162496364
N-[(E)-1-chloro-2-(1H-1,2,4-triazol-5-yl)ethenyl]methanimine
CID 166890604
5-(3-chloroprop-1-enyl)-1H-1,2,4-triazole
CID 169476783

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole (CID 153410366) is 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole is FC(F)(F)/C=C(\Cl)c1ncn[nH]1.
What is the InChIKey of 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole?
The InChIKey is VDMMDVQVLLKGBE-IWQZZHSRSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-3(1-5(7,8)9)4-10-2-11-12-4/h1-2H,(H,10,11,12)/b3-1-.
What are the key properties of 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole?
5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole has a molecular weight of 197.55 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole is sourced from PubChem (CID 153410366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).