5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane

C11H17F2N3 — CID 144693971

IUPAC5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane
SMILESCC.CN(C)c1n[nH]c2c1C1CC1C2(F)F
InChIInChI=1S/C9H11F2N3.C2H6/c1-14(2)8-6-4-3-5(4)9(10,11)7(6)12-13-8;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3
InChIKeyNWMGZOUPBHXVSQ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.71
Rot. Bonds1

About 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane

5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane (PubChem CID 144693971) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane.

Molecular Properties

Compound Name5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane
PubChem CID144693971
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane
SMILESCC.CN(C)c1n[nH]c2c1C1CC1C2(F)F
InChIInChI=1S/C9H11F2N3.C2H6/c1-14(2)8-6-4-3-5(4)9(10,11)7(6)12-13-8;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3
InChIKeyNWMGZOUPBHXVSQ-UHFFFAOYSA-N
XLogP2.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane?
The IUPAC name of 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane (CID 144693971) is 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane.
What is the SMILES notation for 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane?
The canonical SMILES for 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane is CC.CN(C)c1n[nH]c2c1C1CC1C2(F)F.
What is the InChIKey of 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane?
The InChIKey is NWMGZOUPBHXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3.C2H6/c1-14(2)8-6-4-3-5(4)9(10,11)7(6)12-13-8;1-2/h4-5H,3H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane?
5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane has a molecular weight of 229.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane is sourced from PubChem (CID 144693971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).