[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol

C7H5ClF6N2O — CID 10062334

IUPAC[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n[nH]1
InChIInChI=1S/C7H5ClF6N2O/c8-7(13,14)6(11,12)5(9,10)4-1-3(2-17)15-16-4/h1,17H,2H2,(H,15,16)
InChIKeyZGXWOFMMJCHILA-UHFFFAOYSA-N
MW282.57 g/mol
LogP2.46
Rot. Bonds4

About [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol

[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol (PubChem CID 10062334) has the molecular formula C7H5ClF6N2O and a molecular weight of 282.57 g/mol. Its IUPAC name is [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol
PubChem CID10062334
Molecular FormulaC7H5ClF6N2O
Molecular Weight282.57 g/mol
Exact Mass282.00
IUPAC Name[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n[nH]1
InChIInChI=1S/C7H5ClF6N2O/c8-7(13,14)6(11,12)5(9,10)4-1-3(2-17)15-16-4/h1,17H,2H2,(H,15,16)
InChIKeyZGXWOFMMJCHILA-UHFFFAOYSA-N
XLogP2.46
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol (CID 10062334) is [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol is OCc1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n[nH]1.
What is the InChIKey of [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is ZGXWOFMMJCHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF6N2O/c8-7(13,14)6(11,12)5(9,10)4-1-3(2-17)15-16-4/h1,17H,2H2,(H,15,16).
What are the key properties of [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol?
[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 282.57 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 10062334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).