4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one

C9H10FNOS — CID 67499337

IUPAC4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one
SMILESO=C1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C9H10FNOS/c10-9(8-11-5-6-13-8)3-1-7(12)2-4-9/h5-6H,1-4H2
InChIKeyRXFVGAHXRBKZMQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.45
Rot. Bonds1

About 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one

4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one (PubChem CID 67499337) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one
PubChem CID67499337
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one
SMILESO=C1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C9H10FNOS/c10-9(8-11-5-6-13-8)3-1-7(12)2-4-9/h5-6H,1-4H2
InChIKeyRXFVGAHXRBKZMQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one?
The IUPAC name of 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one (CID 67499337) is 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one is O=C1CCC(F)(c2nccs2)CC1.
What is the InChIKey of 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one?
The InChIKey is RXFVGAHXRBKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c10-9(8-11-5-6-13-8)3-1-7(12)2-4-9/h5-6H,1-4H2.
What are the key properties of 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one?
4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,3-thiazol-2-yl)cyclohexan-1-one is sourced from PubChem (CID 67499337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).