N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine

C9H18F2N2O — CID 50896666

IUPACN-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)CNCCCN1CCOCC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)8-12-2-1-3-13-4-6-14-7-5-13/h9,12H,1-8H2
InChIKeyYILBCBXVMBIKOH-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.56
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine

N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 50896666) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID50896666
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC NameN-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)CNCCCN1CCOCC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)8-12-2-1-3-13-4-6-14-7-5-13/h9,12H,1-8H2
InChIKeyYILBCBXVMBIKOH-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine (CID 50896666) is N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine is FC(F)CNCCCN1CCOCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is YILBCBXVMBIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c10-9(11)8-12-2-1-3-13-4-6-14-7-5-13/h9,12H,1-8H2.
What are the key properties of N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine?
N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 208.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 50896666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).