(5-fluoro-2-methoxyphenyl)borane

C7H8BFO — CID 3475822

IUPAC(5-fluoro-2-methoxyphenyl)borane
SMILESBc1cc(F)ccc1OC
InChIInChI=1S/C7H8BFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,8H2,1H3
InChIKeyAZESKUWODLBHNI-UHFFFAOYSA-N
MW137.95 g/mol
LogP0.09
Rot. Bonds1

About (5-fluoro-2-methoxyphenyl)borane

(5-fluoro-2-methoxyphenyl)borane (PubChem CID 3475822) has the molecular formula C7H8BFO and a molecular weight of 137.95 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)borane.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)borane
PubChem CID3475822
Molecular FormulaC7H8BFO
Molecular Weight137.95 g/mol
Exact Mass138.07
IUPAC Name(5-fluoro-2-methoxyphenyl)borane
SMILESBc1cc(F)ccc1OC
InChIInChI=1S/C7H8BFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,8H2,1H3
InChIKeyAZESKUWODLBHNI-UHFFFAOYSA-N
XLogP0.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.95
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
CID 89353221
CID 89353221
(5-fluoro-2-methoxyphenyl)-methylboranuide
CID 137328687
N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
CID 101168361
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)borane?
The IUPAC name of (5-fluoro-2-methoxyphenyl)borane (CID 3475822) is (5-fluoro-2-methoxyphenyl)borane.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)borane?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)borane is Bc1cc(F)ccc1OC.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)borane?
The InChIKey is AZESKUWODLBHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,8H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)borane?
(5-fluoro-2-methoxyphenyl)borane has a molecular weight of 137.95 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)borane is sourced from PubChem (CID 3475822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).