(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine

C10H11F2N3 — CID 135267007

IUPAC(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
SMILESCN(C)c1n[nH]c2c1C1C=C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14)/t5?,6-/m1/s1
InChIKeyLLEDTNFYSLGUAB-PRJDIBJQSA-N
MW211.21 g/mol
LogP1.85
Rot. Bonds1

About (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine

(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine (PubChem CID 135267007) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine.

Molecular Properties

Compound Name(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
PubChem CID135267007
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
SMILESCN(C)c1n[nH]c2c1C1C=C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14)/t5?,6-/m1/s1
InChIKeyLLEDTNFYSLGUAB-PRJDIBJQSA-N
XLogP1.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-6,6-difluoro-4,5-dimethyl-4,5-dihydro-1H-cyclopenta[c]pyrazol-3-amine
CID 90385283
(2S)-5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 90385296
(2S,4R)-5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 90385810
(4S,5R)-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine
CID 117637984
4-[6-fluoro-3-methylidene-4-(trifluoromethyl)hepta-4,6-dien-2-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123207904
N-methyl-4-[3-methylidene-4-(trifluoromethyl)hepta-4,6-dien-2-yl]-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123340515
(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[c]pyrazol-3-amine
CID 134186168
5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine;ethane
CID 144693971
(4R)-5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 152821022
(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 161290891
6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
CID 166972102
methyl N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-yl)carbamate
CID 166972227

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The IUPAC name of (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine (CID 135267007) is (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine.
What is the SMILES notation for (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The canonical SMILES for (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine is CN(C)c1n[nH]c2c1C1C=C[C@H]1C2(F)F.
What is the InChIKey of (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The InChIKey is LLEDTNFYSLGUAB-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14)/t5?,6-/m1/s1.
What are the key properties of (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine has a molecular weight of 211.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine is sourced from PubChem (CID 135267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).