(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane

C11H24F2N2 — CID 153357912

IUPAC(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane
SMILESCC.CCCC/C(N)=C(/NC)C(C)(F)F
InChIInChI=1S/C9H18F2N2.C2H6/c1-4-5-6-7(12)8(13-3)9(2,10)11;1-2/h13H,4-6,12H2,1-3H3;1-2H3/b8-7-;
InChIKeyKBLIILMWOMAJNM-CFYXSCKTSA-N
MW222.32 g/mol
LogP3.25
Rot. Bonds5

About (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane

(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane (PubChem CID 153357912) has the molecular formula C11H24F2N2 and a molecular weight of 222.32 g/mol. Its IUPAC name is (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane.

Molecular Properties

Compound Name(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane
PubChem CID153357912
Molecular FormulaC11H24F2N2
Molecular Weight222.32 g/mol
Exact Mass222.19
IUPAC Name(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane
SMILESCC.CCCC/C(N)=C(/NC)C(C)(F)F
InChIInChI=1S/C9H18F2N2.C2H6/c1-4-5-6-7(12)8(13-3)9(2,10)11;1-2/h13H,4-6,12H2,1-3H3;1-2H3/b8-7-;
InChIKeyKBLIILMWOMAJNM-CFYXSCKTSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane?
The IUPAC name of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane (CID 153357912) is (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane.
What is the SMILES notation for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane?
The canonical SMILES for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane is CC.CCCC/C(N)=C(/NC)C(C)(F)F.
What is the InChIKey of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane?
The InChIKey is KBLIILMWOMAJNM-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H18F2N2.C2H6/c1-4-5-6-7(12)8(13-3)9(2,10)11;1-2/h13H,4-6,12H2,1-3H3;1-2H3/b8-7-;.
What are the key properties of (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane?
(Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane has a molecular weight of 222.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-difluoro-3-N-methyloct-3-ene-3,4-diamine;ethane is sourced from PubChem (CID 153357912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).