N',N'-diethyl-2,2-difluoropropane-1,3-diamine

C7H16F2N2 — CID 84652406

IUPACN',N'-diethyl-2,2-difluoropropane-1,3-diamine
SMILESCCN(CC)CC(F)(F)CN
InChIInChI=1S/C7H16F2N2/c1-3-11(4-2)6-7(8,9)5-10/h3-6,10H2,1-2H3
InChIKeyWHEUFRVNEWESEK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds5

About N',N'-diethyl-2,2-difluoropropane-1,3-diamine

N',N'-diethyl-2,2-difluoropropane-1,3-diamine (PubChem CID 84652406) has the molecular formula C7H16F2N2 and a molecular weight of 166.22 g/mol. Its IUPAC name is N',N'-diethyl-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-2,2-difluoropropane-1,3-diamine
PubChem CID84652406
Molecular FormulaC7H16F2N2
Molecular Weight166.22 g/mol
Exact Mass166.13
IUPAC NameN',N'-diethyl-2,2-difluoropropane-1,3-diamine
SMILESCCN(CC)CC(F)(F)CN
InChIInChI=1S/C7H16F2N2/c1-3-11(4-2)6-7(8,9)5-10/h3-6,10H2,1-2H3
InChIKeyWHEUFRVNEWESEK-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-2,2-difluoropropane-1,3-diamine (CID 84652406) is N',N'-diethyl-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-2,2-difluoropropane-1,3-diamine is CCN(CC)CC(F)(F)CN.
What is the InChIKey of N',N'-diethyl-2,2-difluoropropane-1,3-diamine?
The InChIKey is WHEUFRVNEWESEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2/c1-3-11(4-2)6-7(8,9)5-10/h3-6,10H2,1-2H3.
What are the key properties of N',N'-diethyl-2,2-difluoropropane-1,3-diamine?
N',N'-diethyl-2,2-difluoropropane-1,3-diamine has a molecular weight of 166.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 84652406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).