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

C10H16F2N2O2 — CID 103147772

IUPAC4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(CC(O)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2O2/c1-14-4-2-8(13-14)6-9(15)3-5-16-7-10(11)12/h2,4,9-10,15H,3,5-7H2,1H3
InChIKeyMGDDNKKVRARUCS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.00
Rot. Bonds7

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

4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103147772) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol
PubChem CID103147772
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(CC(O)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2O2/c1-14-4-2-8(13-14)6-9(15)3-5-16-7-10(11)12/h2,4,9-10,15H,3,5-7H2,1H3
InChIKeyMGDDNKKVRARUCS-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.00
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-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol (CID 103147772) is 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol is Cn1ccc(CC(O)CCOCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is MGDDNKKVRARUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-14-4-2-8(13-14)6-9(15)3-5-16-7-10(11)12/h2,4,9-10,15H,3,5-7H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 234.25 g/mol, XLogP of 1.00, 7 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-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103147772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).