1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol

C16H19F2NOS — CID 65189339

IUPAC1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1ccc(F)cc1F)C(O)CCCc1cccs1
InChIInChI=1S/C16H19F2NOS/c17-11-6-7-13(15(18)9-11)14(10-19)16(20)5-1-3-12-4-2-8-21-12/h2,4,6-9,14,16,20H,1,3,5,10,19H2
InChIKeyIJHSIXWZCPSLIZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.45
Rot. Bonds7

About 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol

1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol (PubChem CID 65189339) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol
PubChem CID65189339
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1ccc(F)cc1F)C(O)CCCc1cccs1
InChIInChI=1S/C16H19F2NOS/c17-11-6-7-13(15(18)9-11)14(10-19)16(20)5-1-3-12-4-2-8-21-12/h2,4,6-9,14,16,20H,1,3,5,10,19H2
InChIKeyIJHSIXWZCPSLIZ-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12549101
4-(3,5-Difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 59599265
(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 143107861
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-2-ylphenyl)propan-1-ol
CID 177965961
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-3-ylphenyl)propan-1-ol
CID 177965988
1-(4-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54952991
1-(2-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54953040
1-(3-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54953089
1-(4-Fluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60719438
1-(2-Fluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60900093
1-(2,4-Difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60900670
1-(2,5-Difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60900856

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol (CID 65189339) is 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol is NCC(c1ccc(F)cc1F)C(O)CCCc1cccs1.
What is the InChIKey of 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol?
The InChIKey is IJHSIXWZCPSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c17-11-6-7-13(15(18)9-11)14(10-19)16(20)5-1-3-12-4-2-8-21-12/h2,4,6-9,14,16,20H,1,3,5,10,19H2.
What are the key properties of 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol?
1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol has a molecular weight of 311.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,4-difluorophenyl)-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65189339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).