2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol

C12H16F2N2OS — CID 167432678

IUPAC2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1c[nH]c2sccc12)NCC(F)(F)CO
InChIInChI=1S/C12H16F2N2OS/c1-8(16-6-12(13,14)7-17)4-9-5-15-11-10(9)2-3-18-11/h2-3,5,8,15-17H,4,6-7H2,1H3
InChIKeyMQQIEJAIXQXRIO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.38
Rot. Bonds6

About 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol

2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol (PubChem CID 167432678) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol
PubChem CID167432678
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1c[nH]c2sccc12)NCC(F)(F)CO
InChIInChI=1S/C12H16F2N2OS/c1-8(16-6-12(13,14)7-17)4-9-5-15-11-10(9)2-3-18-11/h2-3,5,8,15-17H,4,6-7H2,1H3
InChIKeyMQQIEJAIXQXRIO-UHFFFAOYSA-N
XLogP2.38
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
3-[[(2R)-1-(3-amino-2-fluorophenyl)propan-2-yl]amino]-2,2-difluoropropan-1-ol
CID 166473268
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CID 104860527
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CID 104860632
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
CID 166792346
2,2-difluoro-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860525
tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
CID 162617200
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol (CID 167432678) is 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol is CC(Cc1c[nH]c2sccc12)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol?
The InChIKey is MQQIEJAIXQXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-8(16-6-12(13,14)7-17)4-9-5-15-11-10(9)2-3-18-11/h2-3,5,8,15-17H,4,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol?
2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 167432678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).