N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine

C9H11F10NO — CID 100977954

IUPACN,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine
SMILESCCN(CC)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F10NO/c1-3-20(4-2)6(11,12)5(10)21-9(18,19)7(13,14)8(15,16)17/h5H,3-4H2,1-2H3
InChIKeyFATWEJUPKWMFHX-UHFFFAOYSA-N
MW339.17 g/mol
LogP4.02
Rot. Bonds7

About N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine

N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine (PubChem CID 100977954) has the molecular formula C9H11F10NO and a molecular weight of 339.17 g/mol. Its IUPAC name is N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine
PubChem CID100977954
Molecular FormulaC9H11F10NO
Molecular Weight339.17 g/mol
Exact Mass339.07
IUPAC NameN,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine
SMILESCCN(CC)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F10NO/c1-3-20(4-2)6(11,12)5(10)21-9(18,19)7(13,14)8(15,16)17/h5H,3-4H2,1-2H3
InChIKeyFATWEJUPKWMFHX-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine?
The IUPAC name of N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine (CID 100977954) is N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine?
The canonical SMILES for N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine is CCN(CC)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine?
The InChIKey is FATWEJUPKWMFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F10NO/c1-3-20(4-2)6(11,12)5(10)21-9(18,19)7(13,14)8(15,16)17/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine?
N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine has a molecular weight of 339.17 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanamine is sourced from PubChem (CID 100977954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).