4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

C14H24F2N2O2 — CID 103147713

IUPAC4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CCOCC(F)F)n1
InChIInChI=1S/C14H24F2N2O2/c1-3-12(4-2)18-7-5-11(17-18)9-13(19)6-8-20-10-14(15)16/h5,7,12-14,19H,3-4,6,8-10H2,1-2H3
InChIKeyOJWNILLOLCWQFU-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.82
Rot. Bonds10

About 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (PubChem CID 103147713) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
PubChem CID103147713
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CCOCC(F)F)n1
InChIInChI=1S/C14H24F2N2O2/c1-3-12(4-2)18-7-5-11(17-18)9-13(19)6-8-20-10-14(15)16/h5,7,12-14,19H,3-4,6,8-10H2,1-2H3
InChIKeyOJWNILLOLCWQFU-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (CID 103147713) is 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is CCC(CC)n1ccc(CC(O)CCOCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is OJWNILLOLCWQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-3-12(4-2)18-7-5-11(17-18)9-13(19)6-8-20-10-14(15)16/h5,7,12-14,19H,3-4,6,8-10H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 290.35 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103147713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).