(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid

C10H14BFO2 — CID 18684948

IUPAC(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid
SMILESCc1c(C)c(C)c(B(O)O)c(F)c1C
InChIInChI=1S/C10H14BFO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3
InChIKeyWZSWRTXQFRSTMV-UHFFFAOYSA-N
MW196.03 g/mol
LogP0.74
Rot. Bonds1

About (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid

(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid (PubChem CID 18684948) has the molecular formula C10H14BFO2 and a molecular weight of 196.03 g/mol. Its IUPAC name is (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid
PubChem CID18684948
Molecular FormulaC10H14BFO2
Molecular Weight196.03 g/mol
Exact Mass196.11
IUPAC Name(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid
SMILESCc1c(C)c(C)c(B(O)O)c(F)c1C
InChIInChI=1S/C10H14BFO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3
InChIKeyWZSWRTXQFRSTMV-UHFFFAOYSA-N
XLogP0.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trifluoro-3-methylphenyl)boronic acid
CID 24901772
(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)boronic acid
CID 58590139
(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
CID 174081656
(6-chloro-2-fluoro-3-methylphenyl)boronic acid
CID 3664842
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
dimethyl-(2,3,4,5,6-pentamethylphenyl)borane
CID 59944476
(2,3-difluoro-6-hydroxy-4-propylphenyl)boronic acid
CID 141479444
(2-chloro-3-fluoro-6-methylphenyl)boronic acid
CID 155905903
(2,3-dichloro-6-fluoro-4-methylphenyl)boronic acid
CID 131676872
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
(4-borono-5,6-difluoro-2,1,3-benzoxadiazol-7-yl)boronic acid
CID 71242200
1,4-difluoro-2,3-dimethyl-5,6-dimethylidenecyclohexa-1,3-diene
CID 144896054

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid?
The IUPAC name of (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid (CID 18684948) is (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid is Cc1c(C)c(C)c(B(O)O)c(F)c1C.
What is the InChIKey of (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid?
The InChIKey is WZSWRTXQFRSTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3.
What are the key properties of (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid?
(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid has a molecular weight of 196.03 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid is sourced from PubChem (CID 18684948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).