(2-butoxy-6-fluorophenyl)-dimethylborane

C12H18BFO — CID 67978515

IUPAC(2-butoxy-6-fluorophenyl)-dimethylborane
SMILESCCCCOc1cccc(F)c1B(C)C
InChIInChI=1S/C12H18BFO/c1-4-5-9-15-11-8-6-7-10(14)12(11)13(2)3/h6-8H,4-5,9H2,1-3H3
InChIKeyWTPDWTFXYJMZHA-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.97
Rot. Bonds5

About (2-butoxy-6-fluorophenyl)-dimethylborane

(2-butoxy-6-fluorophenyl)-dimethylborane (PubChem CID 67978515) has the molecular formula C12H18BFO and a molecular weight of 208.09 g/mol. Its IUPAC name is (2-butoxy-6-fluorophenyl)-dimethylborane.

Molecular Properties

Compound Name(2-butoxy-6-fluorophenyl)-dimethylborane
PubChem CID67978515
Molecular FormulaC12H18BFO
Molecular Weight208.09 g/mol
Exact Mass208.14
IUPAC Name(2-butoxy-6-fluorophenyl)-dimethylborane
SMILESCCCCOc1cccc(F)c1B(C)C
InChIInChI=1S/C12H18BFO/c1-4-5-9-15-11-8-6-7-10(14)12(11)13(2)3/h6-8H,4-5,9H2,1-3H3
InChIKeyWTPDWTFXYJMZHA-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-6-fluoroaniline
CID 60790205
1-dodecoxy-2,3-difluorobenzene
CID 15854521
1,3-dibutoxy-2-methylbenzene
CID 14475066
1-butoxy-6,7-difluoronaphthalene
CID 70812007
2-(2-butoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164890832
2-(2-butyl-3-fluorophenoxy)ethanol
CID 58241917
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
4-(2-butoxy-6-fluorophenyl)imidazol-2-one
CID 174894987
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
1-butoxynaphthalene
CID 13262700
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-6-fluorophenyl)-dimethylborane?
The IUPAC name of (2-butoxy-6-fluorophenyl)-dimethylborane (CID 67978515) is (2-butoxy-6-fluorophenyl)-dimethylborane.
What is the SMILES notation for (2-butoxy-6-fluorophenyl)-dimethylborane?
The canonical SMILES for (2-butoxy-6-fluorophenyl)-dimethylborane is CCCCOc1cccc(F)c1B(C)C.
What is the InChIKey of (2-butoxy-6-fluorophenyl)-dimethylborane?
The InChIKey is WTPDWTFXYJMZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BFO/c1-4-5-9-15-11-8-6-7-10(14)12(11)13(2)3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of (2-butoxy-6-fluorophenyl)-dimethylborane?
(2-butoxy-6-fluorophenyl)-dimethylborane has a molecular weight of 208.09 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-6-fluorophenyl)-dimethylborane is sourced from PubChem (CID 67978515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).