(5-fluoro-2-methoxyphenyl)-methylboranuide

C8H11BFO- — CID 137328687

IUPAC(5-fluoro-2-methoxyphenyl)-methylboranuide
SMILESC[BH2-]c1cc(F)ccc1OC
InChIInChI=1S/C8H11BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,9H2,1-2H3/q-1
InChIKeyGVFARXMIHWIDIJ-UHFFFAOYSA-N
MW152.98 g/mol
LogP0.68
Rot. Bonds2

About (5-fluoro-2-methoxyphenyl)-methylboranuide

(5-fluoro-2-methoxyphenyl)-methylboranuide (PubChem CID 137328687) has the molecular formula C8H11BFO- and a molecular weight of 152.98 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-methylboranuide.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-methylboranuide
PubChem CID137328687
Molecular FormulaC8H11BFO-
Molecular Weight152.98 g/mol
Exact Mass153.09
IUPAC Name(5-fluoro-2-methoxyphenyl)-methylboranuide
SMILESC[BH2-]c1cc(F)ccc1OC
InChIInChI=1S/C8H11BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,9H2,1-2H3/q-1
InChIKeyGVFARXMIHWIDIJ-UHFFFAOYSA-N
XLogP0.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.98
LogP ≤ 50.68
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

(5-fluoro-2-methoxyphenyl)borane
CID 3475822
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
CID 89353221
CID 89353221
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride
CID 174820317
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-methylboranuide?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-methylboranuide (CID 137328687) is (5-fluoro-2-methoxyphenyl)-methylboranuide.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-methylboranuide?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-methylboranuide is C[BH2-]c1cc(F)ccc1OC.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-methylboranuide?
The InChIKey is GVFARXMIHWIDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BFO/c1-9-7-5-6(10)3-4-8(7)11-2/h3-5H,9H2,1-2H3/q-1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-methylboranuide?
(5-fluoro-2-methoxyphenyl)-methylboranuide has a molecular weight of 152.98 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-methylboranuide is sourced from PubChem (CID 137328687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).