N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C9H20F2N2 — CID 79662145

IUPACN'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(F)F)CC(C)(C)CN
InChIInChI=1S/C9H20F2N2/c1-4-13(5-8(10)11)7-9(2,3)6-12/h8H,4-7,12H2,1-3H3
InChIKeyXYUQPMZWCMMEPA-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.56
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79662145) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79662145
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC NameN'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(F)F)CC(C)(C)CN
InChIInChI=1S/C9H20F2N2/c1-4-13(5-8(10)11)7-9(2,3)6-12/h8H,4-7,12H2,1-3H3
InChIKeyXYUQPMZWCMMEPA-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79662145) is N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(CC(F)F)CC(C)(C)CN.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is XYUQPMZWCMMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2/c1-4-13(5-8(10)11)7-9(2,3)6-12/h8H,4-7,12H2,1-3H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 194.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79662145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).