4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol

C11H16F4N2O2 — CID 103474088

IUPAC4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol
SMILESCn1nccc1CCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O2/c1-17-8(4-5-16-17)2-3-9(18)6-19-7-11(14,15)10(12)13/h4-5,9-10,18H,2-3,6-7H2,1H3
InChIKeyQTVFBNAZBXMELI-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.63
Rot. Bonds8

About 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol

4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol (PubChem CID 103474088) has the molecular formula C11H16F4N2O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol
PubChem CID103474088
Molecular FormulaC11H16F4N2O2
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Name4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol
SMILESCn1nccc1CCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O2/c1-17-8(4-5-16-17)2-3-9(18)6-19-7-11(14,15)10(12)13/h4-5,9-10,18H,2-3,6-7H2,1H3
InChIKeyQTVFBNAZBXMELI-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol (CID 103474088) is 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol is Cn1nccc1CCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol?
The InChIKey is QTVFBNAZBXMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O2/c1-17-8(4-5-16-17)2-3-9(18)6-19-7-11(14,15)10(12)13/h4-5,9-10,18H,2-3,6-7H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol?
4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol has a molecular weight of 284.25 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-ol is sourced from PubChem (CID 103474088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).