2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine

C8H16F2N2 — CID 178011043

IUPAC2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCC(F)(F)CN(C)C
InChIInChI=1S/C8H16F2N2/c1-7(2)11-5-8(9,10)6-12(3)4/h11H,1,5-6H2,2-4H3
InChIKeyWPUZUDNSYKLCDC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.31
Rot. Bonds5

About 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine

2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine (PubChem CID 178011043) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
PubChem CID178011043
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCC(F)(F)CN(C)C
InChIInChI=1S/C8H16F2N2/c1-7(2)11-5-8(9,10)6-12(3)4/h11H,1,5-6H2,2-4H3
InChIKeyWPUZUDNSYKLCDC-UHFFFAOYSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine (CID 178011043) is 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine is C=C(C)NCC(F)(F)CN(C)C.
What is the InChIKey of 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine?
The InChIKey is WPUZUDNSYKLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-7(2)11-5-8(9,10)6-12(3)4/h11H,1,5-6H2,2-4H3.
What are the key properties of 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine?
2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine is sourced from PubChem (CID 178011043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).