4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

C20H25F2NOS — CID 59599265

IUPAC4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESOC(CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1
InChIInChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2
InChIKeyRARADPRKKCMTER-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.77
Rot. Bonds7

About 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (PubChem CID 59599265) has the molecular formula C20H25F2NOS and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
PubChem CID59599265
Molecular FormulaC20H25F2NOS
Molecular Weight365.49 g/mol
Exact Mass365.16
IUPAC Name4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESOC(CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1
InChIInChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2
InChIKeyRARADPRKKCMTER-UHFFFAOYSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (CID 59599265) is 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is OC(CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The InChIKey is RARADPRKKCMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2.
What are the key properties of 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol has a molecular weight of 365.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 59599265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).