N-ethyl-N-fluoroethanamine

C4H10FN — CID 14642703

IUPACN-ethyl-N-fluoroethanamine
SMILESCCN(F)CC
InChIInChI=1S/C4H10FN/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyUFRKOOMLVWDICO-UHFFFAOYSA-N
MW91.13 g/mol
LogP1.21
Rot. Bonds2

About N-ethyl-N-fluoroethanamine

N-ethyl-N-fluoroethanamine (PubChem CID 14642703) has the molecular formula C4H10FN and a molecular weight of 91.13 g/mol. Its IUPAC name is N-ethyl-N-fluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-fluoroethanamine
PubChem CID14642703
Molecular FormulaC4H10FN
Molecular Weight91.13 g/mol
Exact Mass91.08
IUPAC NameN-ethyl-N-fluoroethanamine
SMILESCCN(F)CC
InChIInChI=1S/C4H10FN/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyUFRKOOMLVWDICO-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoroethanamine?
The IUPAC name of N-ethyl-N-fluoroethanamine (CID 14642703) is N-ethyl-N-fluoroethanamine.
What is the SMILES notation for N-ethyl-N-fluoroethanamine?
The canonical SMILES for N-ethyl-N-fluoroethanamine is CCN(F)CC.
What is the InChIKey of N-ethyl-N-fluoroethanamine?
The InChIKey is UFRKOOMLVWDICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN/c1-3-6(5)4-2/h3-4H2,1-2H3.
What are the key properties of N-ethyl-N-fluoroethanamine?
N-ethyl-N-fluoroethanamine has a molecular weight of 91.13 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoroethanamine is sourced from PubChem (CID 14642703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).