trifluoro-(4-fluoro-3-methoxyphenyl)boranuide

C7H6BF4O- — CID 112694622

IUPACtrifluoro-(4-fluoro-3-methoxyphenyl)boranuide
SMILESCOc1cc([B-](F)(F)F)ccc1F
InChIInChI=1S/C7H6BF4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3/q-1
InChIKeyBUSOGZNEWKMHIU-UHFFFAOYSA-N
MW192.93 g/mol
LogP1.89
Rot. Bonds2

About trifluoro-(4-fluoro-3-methoxyphenyl)boranuide

trifluoro-(4-fluoro-3-methoxyphenyl)boranuide (PubChem CID 112694622) has the molecular formula C7H6BF4O- and a molecular weight of 192.93 g/mol. Its IUPAC name is trifluoro-(4-fluoro-3-methoxyphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-fluoro-3-methoxyphenyl)boranuide
PubChem CID112694622
Molecular FormulaC7H6BF4O-
Molecular Weight192.93 g/mol
Exact Mass193.05
IUPAC Nametrifluoro-(4-fluoro-3-methoxyphenyl)boranuide
SMILESCOc1cc([B-](F)(F)F)ccc1F
InChIInChI=1S/C7H6BF4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3/q-1
InChIKeyBUSOGZNEWKMHIU-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.93
LogP ≤ 51.89
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

1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
1-fluoro-4-isocyano-2-methoxybenzene
CID 123183250
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-fluorophenyl]-trifluoroboranuide
CID 114675060
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(4-fluoro-3-methoxyphenyl)-dimethoxyborane
CID 174824677
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774

Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-fluoro-3-methoxyphenyl)boranuide?
The IUPAC name of trifluoro-(4-fluoro-3-methoxyphenyl)boranuide (CID 112694622) is trifluoro-(4-fluoro-3-methoxyphenyl)boranuide.
What is the SMILES notation for trifluoro-(4-fluoro-3-methoxyphenyl)boranuide?
The canonical SMILES for trifluoro-(4-fluoro-3-methoxyphenyl)boranuide is COc1cc([B-](F)(F)F)ccc1F.
What is the InChIKey of trifluoro-(4-fluoro-3-methoxyphenyl)boranuide?
The InChIKey is BUSOGZNEWKMHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3/q-1.
What are the key properties of trifluoro-(4-fluoro-3-methoxyphenyl)boranuide?
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide has a molecular weight of 192.93 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-fluoro-3-methoxyphenyl)boranuide is sourced from PubChem (CID 112694622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).