1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol

C11H14F2O2 — CID 165492023

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2=CCCCO2)C=CC(F)(F)CC1
InChIInChI=1S/C11H14F2O2/c12-11(13)6-4-10(14,5-7-11)9-3-1-2-8-15-9/h3-4,6,14H,1-2,5,7-8H2
InChIKeyIPTXASDZRFUEMU-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.40
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165492023) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165492023
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2=CCCCO2)C=CC(F)(F)CC1
InChIInChI=1S/C11H14F2O2/c12-11(13)6-4-10(14,5-7-11)9-3-1-2-8-15-9/h3-4,6,14H,1-2,5,7-8H2
InChIKeyIPTXASDZRFUEMU-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol (CID 165492023) is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol is OC1(C2=CCCCO2)C=CC(F)(F)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is IPTXASDZRFUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c12-11(13)6-4-10(14,5-7-11)9-3-1-2-8-15-9/h3-4,6,14H,1-2,5,7-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 216.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165492023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).