N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine

C6H14F2N2 — CID 115407517

IUPACN'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNCC(F)F
InChIInChI=1S/C6H14F2N2/c1-5(2-9)3-10-4-6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyMFYKYJLWSDNBKT-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.44
Rot. Bonds5

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

N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine (PubChem CID 115407517) has the molecular formula C6H14F2N2 and a molecular weight of 152.19 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
PubChem CID115407517
Molecular FormulaC6H14F2N2
Molecular Weight152.19 g/mol
Exact Mass152.11
IUPAC NameN'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNCC(F)F
InChIInChI=1S/C6H14F2N2/c1-5(2-9)3-10-4-6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyMFYKYJLWSDNBKT-UHFFFAOYSA-N
XLogP0.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine (CID 115407517) is N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine is CC(CN)CNCC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine?
The InChIKey is MFYKYJLWSDNBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2/c1-5(2-9)3-10-4-6(7)8/h5-6,10H,2-4,9H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine?
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine has a molecular weight of 152.19 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115407517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).