N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine

C13H20F2N2O2S — CID 43225186

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)SCc1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C13H20F2N2O2S/c14-13(15)20-10-12-2-1-11(19-12)9-16-3-4-17-5-7-18-8-6-17/h1-2,13,16H,3-10H2
InChIKeyCUAONTXTEGMMRB-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.16
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 43225186) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID43225186
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)SCc1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C13H20F2N2O2S/c14-13(15)20-10-12-2-1-11(19-12)9-16-3-4-17-5-7-18-8-6-17/h1-2,13,16H,3-10H2
InChIKeyCUAONTXTEGMMRB-UHFFFAOYSA-N
XLogP2.16
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine (CID 43225186) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine is FC(F)SCc1ccc(CNCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is CUAONTXTEGMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c14-13(15)20-10-12-2-1-11(19-12)9-16-3-4-17-5-7-18-8-6-17/h1-2,13,16H,3-10H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 306.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).