1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one

C13H16F2OS — CID 105101468

IUPAC1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2OS/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h1-2,9-10H,3-8H2
InChIKeyUQRVEXMVMSWEGC-UHFFFAOYSA-N
MW258.33 g/mol
LogP4.08
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one

1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 105101468) has the molecular formula C13H16F2OS and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
PubChem CID105101468
Molecular FormulaC13H16F2OS
Molecular Weight258.33 g/mol
Exact Mass258.09
IUPAC Name1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2OS/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h1-2,9-10H,3-8H2
InChIKeyUQRVEXMVMSWEGC-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-2-ylpropan-1-one
CID 64982101
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
CID 79058490
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one (CID 105101468) is 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is UQRVEXMVMSWEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2OS/c14-13(15)7-5-10(6-8-13)12(16)4-3-11-2-1-9-17-11/h1-2,9-10H,3-8H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one?
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 258.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 105101468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).