6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole

C19H22BF2NO2 — CID 171112223

IUPAC6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole
SMILESCC1(C)OB(C(F)=C2CCCc3c2[nH]c2ccc(F)cc32)OC1(C)C
InChIInChI=1S/C19H22BF2NO2/c1-18(2)19(3,4)25-20(24-18)17(22)13-7-5-6-12-14-10-11(21)8-9-15(14)23-16(12)13/h8-10,23H,5-7H2,1-4H3
InChIKeyCSRSVZURMXVVQQ-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.96
Rot. Bonds1

About 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole

6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole (PubChem CID 171112223) has the molecular formula C19H22BF2NO2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole.

Molecular Properties

Compound Name6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole
PubChem CID171112223
Molecular FormulaC19H22BF2NO2
Molecular Weight345.20 g/mol
Exact Mass345.17
IUPAC Name6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole
SMILESCC1(C)OB(C(F)=C2CCCc3c2[nH]c2ccc(F)cc32)OC1(C)C
InChIInChI=1S/C19H22BF2NO2/c1-18(2)19(3,4)25-20(24-18)17(22)13-7-5-6-12-14-10-11(21)8-9-15(14)23-16(12)13/h8-10,23H,5-7H2,1-4H3
InChIKeyCSRSVZURMXVVQQ-UHFFFAOYSA-N
XLogP4.96
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[fluoro-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114571
2-[fluoro-[2-(4-fluorophenyl)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114411
2-[fluoro-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114607
7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 51052054
6-fluoro-4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]spiro[3H-chromene-2,3'-azetidine]
CID 171113486
2-(6-methyl-2,3,4,9-tetrahydrocarbazol-1-ylidene)propanedinitrile
CID 86092413
2-[fluoro-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114597
2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
CID 71101672
8-fluoro-10-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine
CID 171112375
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97425995
2-[fluoro-(5-methyl-1-benzothiophen-3-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112354
5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole
CID 56975227

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole?
The IUPAC name of 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole (CID 171112223) is 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole.
What is the SMILES notation for 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole?
The canonical SMILES for 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole is CC1(C)OB(C(F)=C2CCCc3c2[nH]c2ccc(F)cc32)OC1(C)C.
What is the InChIKey of 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole?
The InChIKey is CSRSVZURMXVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BF2NO2/c1-18(2)19(3,4)25-20(24-18)17(22)13-7-5-6-12-14-10-11(21)8-9-15(14)23-16(12)13/h8-10,23H,5-7H2,1-4H3.
What are the key properties of 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole?
6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole has a molecular weight of 345.20 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,4,9-tetrahydrocarbazole is sourced from PubChem (CID 171112223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).