4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane

C15H18BF3O2 — CID 176634290

IUPAC4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@H]2C[C@@H]2c2c(F)cc(F)cc2F)OC1(C)C
InChIInChI=1S/C15H18BF3O2/c1-14(2)15(3,4)21-16(20-14)10-7-9(10)13-11(18)5-8(17)6-12(13)19/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyFAMPLDWPIBRUKA-UWVGGRQHSA-N
MW298.11 g/mol
LogP4.05
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane (PubChem CID 176634290) has the molecular formula C15H18BF3O2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane
PubChem CID176634290
Molecular FormulaC15H18BF3O2
Molecular Weight298.11 g/mol
Exact Mass298.14
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@H]2C[C@@H]2c2c(F)cc(F)cc2F)OC1(C)C
InChIInChI=1S/C15H18BF3O2/c1-14(2)15(3,4)21-16(20-14)10-7-9(10)13-11(18)5-8(17)6-12(13)19/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyFAMPLDWPIBRUKA-UWVGGRQHSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155904864
3-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-5-(trifluoromethyl)pyridine
CID 176634358
5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
CID 157033362
2-fluoro-3-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzonitrile
CID 157033316
4,4,5,5-tetramethyl-2-[(1S)-2-[3-(trifluoromethoxy)phenyl]cyclopropyl]-1,3,2-dioxaborolane
CID 176660363
5-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-2-(trifluoromethyl)pyridine
CID 157034876
2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162450812
3,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 162467123
2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzonitrile
CID 168861804
1-methyl-2-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzimidazole
CID 122393773
5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234747
6-[(2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
CID 175843039

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane (CID 176634290) is 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane is CC1(C)OB([C@H]2C[C@@H]2c2c(F)cc(F)cc2F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane?
The InChIKey is FAMPLDWPIBRUKA-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18BF3O2/c1-14(2)15(3,4)21-16(20-14)10-7-9(10)13-11(18)5-8(17)6-12(13)19/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane has a molecular weight of 298.11 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1S,2S)-2-(2,4,6-trifluorophenyl)cyclopropyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 176634290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).