N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine

C9H18FNO — CID 106401431

IUPACN-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
SMILESC=CCCOCCNCCCF
InChIInChI=1S/C9H18FNO/c1-2-3-8-12-9-7-11-6-4-5-10/h2,11H,1,3-9H2
InChIKeyPDCUZZORILIBOW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.53
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine

N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine (PubChem CID 106401431) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
PubChem CID106401431
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
SMILESC=CCCOCCNCCCF
InChIInChI=1S/C9H18FNO/c1-2-3-8-12-9-7-11-6-4-5-10/h2,11H,1,3-9H2
InChIKeyPDCUZZORILIBOW-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine (CID 106401431) is N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine is C=CCCOCCNCCCF.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine?
The InChIKey is PDCUZZORILIBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-3-8-12-9-7-11-6-4-5-10/h2,11H,1,3-9H2.
What are the key properties of N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine?
N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 106401431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).