1,2,2,2-tetrafluoro-N,N-dimethylethanamine

C4H7F4N — CID 87090093

IUPAC1,2,2,2-tetrafluoro-N,N-dimethylethanamine
SMILESCN(C)C(F)C(F)(F)F
InChIInChI=1S/C4H7F4N/c1-9(2)3(5)4(6,7)8/h3H,1-2H3
InChIKeyCIUHZRWEWDBSNY-UHFFFAOYSA-N
MW145.10 g/mol
LogP1.41
Rot. Bonds1

About 1,2,2,2-tetrafluoro-N,N-dimethylethanamine

1,2,2,2-tetrafluoro-N,N-dimethylethanamine (PubChem CID 87090093) has the molecular formula C4H7F4N and a molecular weight of 145.10 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-N,N-dimethylethanamine
PubChem CID87090093
Molecular FormulaC4H7F4N
Molecular Weight145.10 g/mol
Exact Mass145.05
IUPAC Name1,2,2,2-tetrafluoro-N,N-dimethylethanamine
SMILESCN(C)C(F)C(F)(F)F
InChIInChI=1S/C4H7F4N/c1-9(2)3(5)4(6,7)8/h3H,1-2H3
InChIKeyCIUHZRWEWDBSNY-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.10
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-N,N-dimethylethanamine?
The IUPAC name of 1,2,2,2-tetrafluoro-N,N-dimethylethanamine (CID 87090093) is 1,2,2,2-tetrafluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1,2,2,2-tetrafluoro-N,N-dimethylethanamine?
The canonical SMILES for 1,2,2,2-tetrafluoro-N,N-dimethylethanamine is CN(C)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-N,N-dimethylethanamine?
The InChIKey is CIUHZRWEWDBSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4N/c1-9(2)3(5)4(6,7)8/h3H,1-2H3.
What are the key properties of 1,2,2,2-tetrafluoro-N,N-dimethylethanamine?
1,2,2,2-tetrafluoro-N,N-dimethylethanamine has a molecular weight of 145.10 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-N,N-dimethylethanamine is sourced from PubChem (CID 87090093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).