1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine

C11H24F2N2 — CID 166694885

IUPAC1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine
SMILESCCN(C)CC(F)(F)C(N)CCC(C)C
InChIInChI=1S/C11H24F2N2/c1-5-15(4)8-11(12,13)10(14)7-6-9(2)3/h9-10H,5-8,14H2,1-4H3
InChIKeyIRTOHOTXZSXPPM-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.34
Rot. Bonds7

About 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine

1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine (PubChem CID 166694885) has the molecular formula C11H24F2N2 and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine
PubChem CID166694885
Molecular FormulaC11H24F2N2
Molecular Weight222.32 g/mol
Exact Mass222.19
IUPAC Name1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine
SMILESCCN(C)CC(F)(F)C(N)CCC(C)C
InChIInChI=1S/C11H24F2N2/c1-5-15(4)8-11(12,13)10(14)7-6-9(2)3/h9-10H,5-8,14H2,1-4H3
InChIKeyIRTOHOTXZSXPPM-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine?
The IUPAC name of 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine (CID 166694885) is 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine is CCN(C)CC(F)(F)C(N)CCC(C)C.
What is the InChIKey of 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine?
The InChIKey is IRTOHOTXZSXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2/c1-5-15(4)8-11(12,13)10(14)7-6-9(2)3/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine?
1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine has a molecular weight of 222.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,2-difluoro-1-N,6-dimethylheptane-1,3-diamine is sourced from PubChem (CID 166694885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).