2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol

C10H15F2NO2S — CID 43776345

IUPAC2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C10H15F2NO2S/c1-7(5-14)13-4-8-2-3-9(15-8)6-16-10(11)12/h2-3,7,10,13-14H,4-6H2,1H3
InChIKeyZYYQPOSOBAADMH-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.21
Rot. Bonds7

About 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol (PubChem CID 43776345) has the molecular formula C10H15F2NO2S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
PubChem CID43776345
Molecular FormulaC10H15F2NO2S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C10H15F2NO2S/c1-7(5-14)13-4-8-2-3-9(15-8)6-16-10(11)12/h2-3,7,10,13-14H,4-6H2,1H3
InChIKeyZYYQPOSOBAADMH-UHFFFAOYSA-N
XLogP2.21
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol with MolForge

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methoxybutan-2-amine
CID 62734092
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783043
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
CID 43225480
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43225293

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol?
The IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol (CID 43776345) is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol is CC(CO)NCc1ccc(CSC(F)F)o1.
What is the InChIKey of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol?
The InChIKey is ZYYQPOSOBAADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2S/c1-7(5-14)13-4-8-2-3-9(15-8)6-16-10(11)12/h2-3,7,10,13-14H,4-6H2,1H3.
What are the key properties of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol?
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol has a molecular weight of 251.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol is sourced from PubChem (CID 43776345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).