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

C7H13F4NO — CID 118029374

IUPACN,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
SMILESCN(C)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C7H13F4NO/c1-6(8,9)7(10,11)13-5-4-12(2)3/h4-5H2,1-3H3
InChIKeyRYIQOKYEIZRNJI-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.81
Rot. Bonds5

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

N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine (PubChem CID 118029374) has the molecular formula C7H13F4NO and a molecular weight of 203.18 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
PubChem CID118029374
Molecular FormulaC7H13F4NO
Molecular Weight203.18 g/mol
Exact Mass203.09
IUPAC NameN,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
SMILESCN(C)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C7H13F4NO/c1-6(8,9)7(10,11)13-5-4-12(2)3/h4-5H2,1-3H3
InChIKeyRYIQOKYEIZRNJI-UHFFFAOYSA-N
XLogP1.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.81
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-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine (CID 118029374) is N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine is CN(C)CCOC(F)(F)C(C)(F)F.
What is the InChIKey of N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
The InChIKey is RYIQOKYEIZRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4NO/c1-6(8,9)7(10,11)13-5-4-12(2)3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine?
N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine has a molecular weight of 203.18 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 118029374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).