N-ethoxy-3-fluoropropan-1-amine

C5H12FNO — CID 81107073

IUPACN-ethoxy-3-fluoropropan-1-amine
SMILESCCONCCCF
InChIInChI=1S/C5H12FNO/c1-2-8-7-5-3-4-6/h7H,2-5H2,1H3
InChIKeyCEYJLEDNNRGVMS-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.89
Rot. Bonds5

About N-ethoxy-3-fluoropropan-1-amine

N-ethoxy-3-fluoropropan-1-amine (PubChem CID 81107073) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is N-ethoxy-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-3-fluoropropan-1-amine
PubChem CID81107073
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC NameN-ethoxy-3-fluoropropan-1-amine
SMILESCCONCCCF
InChIInChI=1S/C5H12FNO/c1-2-8-7-5-3-4-6/h7H,2-5H2,1H3
InChIKeyCEYJLEDNNRGVMS-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-fluoropropan-1-amine?
The IUPAC name of N-ethoxy-3-fluoropropan-1-amine (CID 81107073) is N-ethoxy-3-fluoropropan-1-amine.
What is the SMILES notation for N-ethoxy-3-fluoropropan-1-amine?
The canonical SMILES for N-ethoxy-3-fluoropropan-1-amine is CCONCCCF.
What is the InChIKey of N-ethoxy-3-fluoropropan-1-amine?
The InChIKey is CEYJLEDNNRGVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-2-8-7-5-3-4-6/h7H,2-5H2,1H3.
What are the key properties of N-ethoxy-3-fluoropropan-1-amine?
N-ethoxy-3-fluoropropan-1-amine has a molecular weight of 121.16 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-fluoropropan-1-amine is sourced from PubChem (CID 81107073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).