2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine

C10H11F2NO — CID 103067211

IUPAC2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c1-7(5-13)6-14-10-3-8(11)2-9(12)4-10/h2-4H,1,5-6,13H2
InChIKeyCSKUQDGYHLKZKS-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.86
Rot. Bonds4

About 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine

2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine (PubChem CID 103067211) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
PubChem CID103067211
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c1-7(5-13)6-14-10-3-8(11)2-9(12)4-10/h2-4H,1,5-6,13H2
InChIKeyCSKUQDGYHLKZKS-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine (CID 103067211) is 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine is C=C(CN)COc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine?
The InChIKey is CSKUQDGYHLKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-7(5-13)6-14-10-3-8(11)2-9(12)4-10/h2-4H,1,5-6,13H2.
What are the key properties of 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine?
2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine has a molecular weight of 199.20 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103067211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).