2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine

C6H11F2NO — CID 103075032

IUPAC2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(F)F
InChIInChI=1S/C6H11F2NO/c1-5(2-9)3-10-4-6(7)8/h6H,1-4,9H2
InChIKeySVYVBUWMSHAEGH-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.78
Rot. Bonds5

About 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine

2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine (PubChem CID 103075032) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
PubChem CID103075032
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(F)F
InChIInChI=1S/C6H11F2NO/c1-5(2-9)3-10-4-6(7)8/h6H,1-4,9H2
InChIKeySVYVBUWMSHAEGH-UHFFFAOYSA-N
XLogP0.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.78
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-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine (CID 103075032) is 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine is C=C(CN)COCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?
The InChIKey is SVYVBUWMSHAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(2-9)3-10-4-6(7)8/h6H,1-4,9H2.
What are the key properties of 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?
2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine has a molecular weight of 151.16 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).