2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C11H24F2N2 — CID 102869041

IUPAC2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)C(F)F
InChIInChI=1S/C11H24F2N2/c1-8(2)6-10(7-15(4)5)14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3
InChIKeyYJEQXXZJILKMBM-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.21
Rot. Bonds7

About 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 102869041) has the molecular formula C11H24F2N2 and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID102869041
Molecular FormulaC11H24F2N2
Molecular Weight222.32 g/mol
Exact Mass222.19
IUPAC Name2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)C(F)F
InChIInChI=1S/C11H24F2N2/c1-8(2)6-10(7-15(4)5)14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3
InChIKeyYJEQXXZJILKMBM-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 102869041) is 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NC(C)C(F)F.
What is the InChIKey of 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is YJEQXXZJILKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2/c1-8(2)6-10(7-15(4)5)14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 222.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-difluoropropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 102869041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).