4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol

C9H9F2NOS — CID 165492024

IUPAC4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccsn2)C=CC(F)(F)CC1
InChIInChI=1S/C9H9F2NOS/c10-9(11)4-2-8(13,3-5-9)7-1-6-14-12-7/h1-2,4,6,13H,3,5H2
InChIKeyBIDKFZHBAGGENO-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.32
Rot. Bonds1

About 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol

4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol (PubChem CID 165492024) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
PubChem CID165492024
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccsn2)C=CC(F)(F)CC1
InChIInChI=1S/C9H9F2NOS/c10-9(11)4-2-8(13,3-5-9)7-1-6-14-12-7/h1-2,4,6,13H,3,5H2
InChIKeyBIDKFZHBAGGENO-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol (CID 165492024) is 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol is OC1(c2ccsn2)C=CC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The InChIKey is BIDKFZHBAGGENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-9(11)4-2-8(13,3-5-9)7-1-6-14-12-7/h1-2,4,6,13H,3,5H2.
What are the key properties of 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol has a molecular weight of 217.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165492024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).