9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

C11H12F4N2 — CID 142466262

IUPAC9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCn1nc(C(F)F)c2c1C(F)(CF)C1CC21
InChIInChI=1S/C11H12F4N2/c1-2-17-9-7(8(16-17)10(13)14)5-3-6(5)11(9,15)4-12/h5-6,10H,2-4H2,1H3
InChIKeyYHSNQHRKBZHGMD-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.09
Rot. Bonds3

About 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 142466262) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID142466262
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCn1nc(C(F)F)c2c1C(F)(CF)C1CC21
InChIInChI=1S/C11H12F4N2/c1-2-17-9-7(8(16-17)10(13)14)5-3-6(5)11(9,15)4-12/h5-6,10H,2-4H2,1H3
InChIKeyYHSNQHRKBZHGMD-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(difluoromethyl)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;ethane
CID 144506049
2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 90281289
9-(difluoromethyl)-7-ethyl-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 142466499
(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)-7-ethyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;N-[2-(3,5-difluorophenyl)-1-(5-isoquinolin-6-ylpyrimidin-4-yl)ethyl]formamide
CID 144506212
4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
CID 153366265
9-(difluoromethyl)-7-ethyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;methyl 3-[5-amino-2-[2-(3,5-difluorophenyl)-1-(ethenylamino)ethyl]-6-ethenyl-3-pyridinyl]benzoate
CID 142466471
1-[3-(difluoromethyl)-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propan-2-one
CID 177210503
(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
3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole
CID 89370018
(2S,4R)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118971755
4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide
CID 158448294

Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 142466262) is 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is CCn1nc(C(F)F)c2c1C(F)(CF)C1CC21.
What is the InChIKey of 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is YHSNQHRKBZHGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c1-2-17-9-7(8(16-17)10(13)14)5-3-6(5)11(9,15)4-12/h5-6,10H,2-4H2,1H3.
What are the key properties of 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 248.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 142466262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).