5-(1,2,3-trifluoropropoxy)-1H-pyrazole

C6H7F3N2O — CID 175509469

IUPAC5-(1,2,3-trifluoropropoxy)-1H-pyrazole
SMILESFCC(F)C(F)Oc1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-3-4(8)6(9)12-5-1-2-10-11-5/h1-2,4,6H,3H2,(H,10,11)
InChIKeyXCFOYADFDOEDJU-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.39
Rot. Bonds4

About 5-(1,2,3-trifluoropropoxy)-1H-pyrazole

5-(1,2,3-trifluoropropoxy)-1H-pyrazole (PubChem CID 175509469) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-(1,2,3-trifluoropropoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,2,3-trifluoropropoxy)-1H-pyrazole
PubChem CID175509469
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name5-(1,2,3-trifluoropropoxy)-1H-pyrazole
SMILESFCC(F)C(F)Oc1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-3-4(8)6(9)12-5-1-2-10-11-5/h1-2,4,6H,3H2,(H,10,11)
InChIKeyXCFOYADFDOEDJU-UHFFFAOYSA-N
XLogP1.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3-trifluoropropoxy)-1H-pyrazole?
The IUPAC name of 5-(1,2,3-trifluoropropoxy)-1H-pyrazole (CID 175509469) is 5-(1,2,3-trifluoropropoxy)-1H-pyrazole.
What is the SMILES notation for 5-(1,2,3-trifluoropropoxy)-1H-pyrazole?
The canonical SMILES for 5-(1,2,3-trifluoropropoxy)-1H-pyrazole is FCC(F)C(F)Oc1ccn[nH]1.
What is the InChIKey of 5-(1,2,3-trifluoropropoxy)-1H-pyrazole?
The InChIKey is XCFOYADFDOEDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-3-4(8)6(9)12-5-1-2-10-11-5/h1-2,4,6H,3H2,(H,10,11).
What are the key properties of 5-(1,2,3-trifluoropropoxy)-1H-pyrazole?
5-(1,2,3-trifluoropropoxy)-1H-pyrazole has a molecular weight of 180.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3-trifluoropropoxy)-1H-pyrazole is sourced from PubChem (CID 175509469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).