N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine

C8H16F2N2 — CID 165462284

IUPACN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CC)CC(F)(F)CN
InChIInChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3
InChIKeyFXYYSFZHQYLGKQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.09
Rot. Bonds6

About N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine

N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine (PubChem CID 165462284) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
PubChem CID165462284
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CC)CC(F)(F)CN
InChIInChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3
InChIKeyFXYYSFZHQYLGKQ-UHFFFAOYSA-N
XLogP1.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.09
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 N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine (CID 165462284) is N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine is C=CCN(CC)CC(F)(F)CN.
What is the InChIKey of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The InChIKey is FXYYSFZHQYLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3.
What are the key properties of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 165462284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).