(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone

C10H11F2NOS — CID 130729567

IUPAC(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCCC(F)(F)C1
InChIInChI=1S/C10H11F2NOS/c11-10(12)3-1-2-7(4-10)9(14)8-5-15-6-13-8/h5-7H,1-4H2
InChIKeyHAWPIJOCPSQFGX-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.15
Rot. Bonds2

About (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone

(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone (PubChem CID 130729567) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone
PubChem CID130729567
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCCC(F)(F)C1
InChIInChI=1S/C10H11F2NOS/c11-10(12)3-1-2-7(4-10)9(14)8-5-15-6-13-8/h5-7H,1-4H2
InChIKeyHAWPIJOCPSQFGX-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
2-Butyl-1-(2-fluoro-1,3-thiazol-4-yl)-2-methylnonan-1-one
CID 146632982
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
(2-Bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 166045451
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 80490766
1-[2-(1-Aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclohexyl)ethanone
CID 114225577
5,5,5-Trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one
CID 115516001
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202085
4,4-Difluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202089
(3,3-Difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone
CID 130905765
(3,3-Difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130909583

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone (CID 130729567) is (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is HAWPIJOCPSQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c11-10(12)3-1-2-7(4-10)9(14)8-5-15-6-13-8/h5-7H,1-4H2.
What are the key properties of (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone?
(3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 231.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130729567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).