2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine

C10H22F2N2 — CID 165461902

IUPAC2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(C)CC(F)(F)CNC
InChIInChI=1S/C10H22F2N2/c1-5-9(6-2)14(4)8-10(11,12)7-13-3/h9,13H,5-8H2,1-4H3
InChIKeyXPLKBWLUPYGNHO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.96
Rot. Bonds7

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

2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 165461902) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID165461902
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(C)CC(F)(F)CNC
InChIInChI=1S/C10H22F2N2/c1-5-9(6-2)14(4)8-10(11,12)7-13-3/h9,13H,5-8H2,1-4H3
InChIKeyXPLKBWLUPYGNHO-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.96
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'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine (CID 165461902) is 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine is CCC(CC)N(C)CC(F)(F)CNC.
What is the InChIKey of 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is XPLKBWLUPYGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2/c1-5-9(6-2)14(4)8-10(11,12)7-13-3/h9,13H,5-8H2,1-4H3.
What are the key properties of 2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine?
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.96, 7 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'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 165461902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).