(4,5-difluoro-2-methylphenyl)-methylboranuide

C8H10BF2- — CID 137328861

IUPAC(4,5-difluoro-2-methylphenyl)-methylboranuide
SMILESC[BH2-]c1cc(F)c(F)cc1C
InChIInChI=1S/C8H10BF2/c1-5-3-7(10)8(11)4-6(5)9-2/h3-4H,9H2,1-2H3/q-1
InChIKeyDSIQKMVOIIZFGV-UHFFFAOYSA-N
MW154.98 g/mol
LogP1.12
Rot. Bonds1

About (4,5-difluoro-2-methylphenyl)-methylboranuide

(4,5-difluoro-2-methylphenyl)-methylboranuide (PubChem CID 137328861) has the molecular formula C8H10BF2- and a molecular weight of 154.98 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)-methylboranuide.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)-methylboranuide
PubChem CID137328861
Molecular FormulaC8H10BF2-
Molecular Weight154.98 g/mol
Exact Mass155.08
IUPAC Name(4,5-difluoro-2-methylphenyl)-methylboranuide
SMILESC[BH2-]c1cc(F)c(F)cc1C
InChIInChI=1S/C8H10BF2/c1-5-3-7(10)8(11)4-6(5)9-2/h3-4H,9H2,1-2H3/q-1
InChIKeyDSIQKMVOIIZFGV-UHFFFAOYSA-N
XLogP1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
N-(4,5-difluoro-2-methylphenyl)methanimine
CID 123475442
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
3-fluoro-2,5,6-trimethylpyridine
CID 69005748
4-fluoro-2,5-dimethylphenol
CID 22627623
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
CID 118805699
1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
CID 143700727
1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
CID 167205018

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)-methylboranuide?
The IUPAC name of (4,5-difluoro-2-methylphenyl)-methylboranuide (CID 137328861) is (4,5-difluoro-2-methylphenyl)-methylboranuide.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)-methylboranuide?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)-methylboranuide is C[BH2-]c1cc(F)c(F)cc1C.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)-methylboranuide?
The InChIKey is DSIQKMVOIIZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BF2/c1-5-3-7(10)8(11)4-6(5)9-2/h3-4H,9H2,1-2H3/q-1.
What are the key properties of (4,5-difluoro-2-methylphenyl)-methylboranuide?
(4,5-difluoro-2-methylphenyl)-methylboranuide has a molecular weight of 154.98 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)-methylboranuide is sourced from PubChem (CID 137328861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).