N,N-diethyl-1-fluoroethanamine

C6H14FN — CID 11159319

IUPACN,N-diethyl-1-fluoroethanamine
SMILESCCN(CC)C(C)F
InChIInChI=1S/C6H14FN/c1-4-8(5-2)6(3)7/h6H,4-5H2,1-3H3
InChIKeyZQNCEASMBDXAKR-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.64
Rot. Bonds3

About N,N-diethyl-1-fluoroethanamine

N,N-diethyl-1-fluoroethanamine (PubChem CID 11159319) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is N,N-diethyl-1-fluoroethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-fluoroethanamine
PubChem CID11159319
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC NameN,N-diethyl-1-fluoroethanamine
SMILESCCN(CC)C(C)F
InChIInChI=1S/C6H14FN/c1-4-8(5-2)6(3)7/h6H,4-5H2,1-3H3
InChIKeyZQNCEASMBDXAKR-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.64
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 N,N-diethyl-1-fluoroethanamine?
The IUPAC name of N,N-diethyl-1-fluoroethanamine (CID 11159319) is N,N-diethyl-1-fluoroethanamine.
What is the SMILES notation for N,N-diethyl-1-fluoroethanamine?
The canonical SMILES for N,N-diethyl-1-fluoroethanamine is CCN(CC)C(C)F.
What is the InChIKey of N,N-diethyl-1-fluoroethanamine?
The InChIKey is ZQNCEASMBDXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-4-8(5-2)6(3)7/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-fluoroethanamine?
N,N-diethyl-1-fluoroethanamine has a molecular weight of 119.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-fluoroethanamine is sourced from PubChem (CID 11159319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).