1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol

C13H18F2OS — CID 105097864

IUPAC1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2OS/c14-13(15)6-3-11(4-7-13)12(16)2-1-10-5-8-17-9-10/h5,8-9,11-12,16H,1-4,6-7H2
InChIKeyGGPDTMUCQODHJA-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.87
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol

1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097864) has the molecular formula C13H18F2OS and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097864
Molecular FormulaC13H18F2OS
Molecular Weight260.35 g/mol
Exact Mass260.10
IUPAC Name1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2OS/c14-13(15)6-3-11(4-7-13)12(16)2-1-10-5-8-17-9-10/h5,8-9,11-12,16H,1-4,6-7H2
InChIKeyGGPDTMUCQODHJA-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol (CID 105097864) is 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is GGPDTMUCQODHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2OS/c14-13(15)6-3-11(4-7-13)12(16)2-1-10-5-8-17-9-10/h5,8-9,11-12,16H,1-4,6-7H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol?
1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 260.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).