N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine

C9H17F4NO — CID 118029375

IUPACN,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
SMILESCCN(CC)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C9H17F4NO/c1-4-14(5-2)6-7-15-9(12,13)8(3,10)11/h4-7H2,1-3H3
InChIKeyPEULJXOBRPVRNM-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.59
Rot. Bonds7

About N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine

N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine (PubChem CID 118029375) has the molecular formula C9H17F4NO and a molecular weight of 231.23 g/mol. Its IUPAC name is N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
PubChem CID118029375
Molecular FormulaC9H17F4NO
Molecular Weight231.23 g/mol
Exact Mass231.12
IUPAC NameN,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
SMILESCCN(CC)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C9H17F4NO/c1-4-14(5-2)6-7-15-9(12,13)8(3,10)11/h4-7H2,1-3H3
InChIKeyPEULJXOBRPVRNM-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine (CID 118029375) is N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine is CCN(CC)CCOC(F)(F)C(C)(F)F.
What is the InChIKey of N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The InChIKey is PEULJXOBRPVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO/c1-4-14(5-2)6-7-15-9(12,13)8(3,10)11/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine has a molecular weight of 231.23 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 118029375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).