N,N,1,1-tetrafluoroethanamine

C2H3F4N — CID 15151788

IUPACN,N,1,1-tetrafluoroethanamine
SMILESCC(F)(F)N(F)F
InChIInChI=1S/C2H3F4N/c1-2(3,4)7(5)6/h1H3
InChIKeyROGWEWQIZHSWDW-UHFFFAOYSA-N
MW117.05 g/mol
LogP1.67
Rot. Bonds1

About N,N,1,1-tetrafluoroethanamine

N,N,1,1-tetrafluoroethanamine (PubChem CID 15151788) has the molecular formula C2H3F4N and a molecular weight of 117.05 g/mol. Its IUPAC name is N,N,1,1-tetrafluoroethanamine.

Molecular Properties

Compound NameN,N,1,1-tetrafluoroethanamine
PubChem CID15151788
Molecular FormulaC2H3F4N
Molecular Weight117.05 g/mol
Exact Mass117.02
IUPAC NameN,N,1,1-tetrafluoroethanamine
SMILESCC(F)(F)N(F)F
InChIInChI=1S/C2H3F4N/c1-2(3,4)7(5)6/h1H3
InChIKeyROGWEWQIZHSWDW-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.05
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1,1-tetrafluoroethanamine?
The IUPAC name of N,N,1,1-tetrafluoroethanamine (CID 15151788) is N,N,1,1-tetrafluoroethanamine.
What is the SMILES notation for N,N,1,1-tetrafluoroethanamine?
The canonical SMILES for N,N,1,1-tetrafluoroethanamine is CC(F)(F)N(F)F.
What is the InChIKey of N,N,1,1-tetrafluoroethanamine?
The InChIKey is ROGWEWQIZHSWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4N/c1-2(3,4)7(5)6/h1H3.
What are the key properties of N,N,1,1-tetrafluoroethanamine?
N,N,1,1-tetrafluoroethanamine has a molecular weight of 117.05 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1-tetrafluoroethanamine is sourced from PubChem (CID 15151788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).