4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol

C10H11F2NOS — CID 165492038

IUPAC4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCc1cc(C2(O)C=CC(F)(F)CC2)sn1
InChIInChI=1S/C10H11F2NOS/c1-7-6-8(15-13-7)9(14)2-4-10(11,12)5-3-9/h2,4,6,14H,3,5H2,1H3
InChIKeyXOLAULBOFZOWIA-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.62
Rot. Bonds1

About 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol

4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol (PubChem CID 165492038) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
PubChem CID165492038
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCc1cc(C2(O)C=CC(F)(F)CC2)sn1
InChIInChI=1S/C10H11F2NOS/c1-7-6-8(15-13-7)9(14)2-4-10(11,12)5-3-9/h2,4,6,14H,3,5H2,1H3
InChIKeyXOLAULBOFZOWIA-UHFFFAOYSA-N
XLogP2.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.62
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-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol (CID 165492038) is 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol is Cc1cc(C2(O)C=CC(F)(F)CC2)sn1.
What is the InChIKey of 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The InChIKey is XOLAULBOFZOWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-7-6-8(15-13-7)9(14)2-4-10(11,12)5-3-9/h2,4,6,14H,3,5H2,1H3.
What are the key properties of 4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
4,4-difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol has a molecular weight of 231.27 g/mol, XLogP of 2.62, 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-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165492038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).