1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol

C10H12F2O2 — CID 165497641

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2=CCCO2)C=CC(F)(F)CC1
InChIInChI=1S/C10H12F2O2/c11-10(12)5-3-9(13,4-6-10)8-2-1-7-14-8/h2-3,5,13H,1,4,6-7H2
InChIKeyVLKLJDBCYVWECQ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.01
Rot. Bonds1

About 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol

1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165497641) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165497641
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol
SMILESOC1(C2=CCCO2)C=CC(F)(F)CC1
InChIInChI=1S/C10H12F2O2/c11-10(12)5-3-9(13,4-6-10)8-2-1-7-14-8/h2-3,5,13H,1,4,6-7H2
InChIKeyVLKLJDBCYVWECQ-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol (CID 165497641) is 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol is OC1(C2=CCCO2)C=CC(F)(F)CC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is VLKLJDBCYVWECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c11-10(12)5-3-9(13,4-6-10)8-2-1-7-14-8/h2-3,5,13H,1,4,6-7H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol?
1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165497641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).