(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene

C11H9F5N2 — CID 166972119

IUPAC(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
SMILESC=C1C[C@@H]2[C@H]1c1c(C(F)(F)F)nn(C)c1C2(F)F
InChIInChI=1S/C11H9F5N2/c1-4-3-5-6(4)7-8(11(14,15)16)17-18(2)9(7)10(5,12)13/h5-6H,1,3H2,2H3/t5-,6+/m1/s1
InChIKeyRCCZUMIURCCTQV-RITPCOANSA-N
MW264.20 g/mol
LogP3.20
Rot. Bonds

About (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene

(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene (PubChem CID 166972119) has the molecular formula C11H9F5N2 and a molecular weight of 264.20 g/mol. Its IUPAC name is (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene.

Molecular Properties

Compound Name(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
PubChem CID166972119
Molecular FormulaC11H9F5N2
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene
SMILESC=C1C[C@@H]2[C@H]1c1c(C(F)(F)F)nn(C)c1C2(F)F
InChIInChI=1S/C11H9F5N2/c1-4-3-5-6(4)7-8(11(14,15)16)17-18(2)9(7)10(5,12)13/h5-6H,1,3H2,2H3/t5-,6+/m1/s1
InChIKeyRCCZUMIURCCTQV-RITPCOANSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118971755
(2S,4R)-7-ethyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 118971750
9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;ethane
CID 144506049
(2S,4R)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid
CID 118971787
7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 90167620
5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane
CID 143994582
2-[5,5-difluoro-3-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 155337329
(2S)-7-tert-butyl-5,5-difluoro-9-iodo-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 134186169
1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 12031296
5-(4-chlorophenyl)sulfanyl-4-(1,3-dioxolan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 170874122
(2S,4R)-9-(1,1-difluoroethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;(2S,4R)-5,5-difluoro-9-(1-fluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;methane
CID 167645968
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol
CID 90167987

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The IUPAC name of (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene (CID 166972119) is (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene.
What is the SMILES notation for (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The canonical SMILES for (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene is C=C1C[C@@H]2[C@H]1c1c(C(F)(F)F)nn(C)c1C2(F)F.
What is the InChIKey of (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
The InChIKey is RCCZUMIURCCTQV-RITPCOANSA-N. The full InChI is InChI=1S/C11H9F5N2/c1-4-3-5-6(4)7-8(11(14,15)16)17-18(2)9(7)10(5,12)13/h5-6H,1,3H2,2H3/t5-,6+/m1/s1.
What are the key properties of (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene?
(2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene has a molecular weight of 264.20 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6,6-difluoro-8-methyl-3-methylidene-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-diene is sourced from PubChem (CID 166972119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).