difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane

C20H17BF2 — CID 174243886

IUPACdifluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane
SMILESCc1ccc(C(c2ccccc2)c2ccc(B(F)F)cc2)cc1
InChIInChI=1S/C20H17BF2/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19(14-12-18)21(22)23/h2-14,20H,1H3
InChIKeyNBSUKSZPODPSKT-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.81
Rot. Bonds4

About difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane

difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane (PubChem CID 174243886) has the molecular formula C20H17BF2 and a molecular weight of 306.16 g/mol. Its IUPAC name is difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane.

Molecular Properties

Compound Namedifluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane
PubChem CID174243886
Molecular FormulaC20H17BF2
Molecular Weight306.16 g/mol
Exact Mass306.14
IUPAC Namedifluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane
SMILESCc1ccc(C(c2ccccc2)c2ccc(B(F)F)cc2)cc1
InChIInChI=1S/C20H17BF2/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19(14-12-18)21(22)23/h2-14,20H,1H3
InChIKeyNBSUKSZPODPSKT-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
CID 160759704
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
benzhydrylbenzene hexatetrafluoroborate
CID 173334521
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
benzene;bis(1,4-xylene)
CID 159472747

Frequently Asked Questions

What is the IUPAC name of difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane?
The IUPAC name of difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane (CID 174243886) is difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane.
What is the SMILES notation for difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane?
The canonical SMILES for difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane is Cc1ccc(C(c2ccccc2)c2ccc(B(F)F)cc2)cc1.
What is the InChIKey of difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane?
The InChIKey is NBSUKSZPODPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BF2/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19(14-12-18)21(22)23/h2-14,20H,1H3.
What are the key properties of difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane?
difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane has a molecular weight of 306.16 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane is sourced from PubChem (CID 174243886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).