[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane

C15H16F2OSi — CID 123161853

IUPAC[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
SMILESCc1ccc(OC(F)(F)c2ccc(C[SiH3])cc2)cc1
InChIInChI=1S/C15H16F2OSi/c1-11-2-8-14(9-3-11)18-15(16,17)13-6-4-12(10-19)5-7-13/h2-9H,10H2,1,19H3
InChIKeyITHLTZMZGXNPEA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.99
Rot. Bonds4

About [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane

[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane (PubChem CID 123161853) has the molecular formula C15H16F2OSi and a molecular weight of 278.37 g/mol. Its IUPAC name is [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane.

Molecular Properties

Compound Name[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
PubChem CID123161853
Molecular FormulaC15H16F2OSi
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
SMILESCc1ccc(OC(F)(F)c2ccc(C[SiH3])cc2)cc1
InChIInChI=1S/C15H16F2OSi/c1-11-2-8-14(9-3-11)18-15(16,17)13-6-4-12(10-19)5-7-13/h2-9H,10H2,1,19H3
InChIKeyITHLTZMZGXNPEA-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.99
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

[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane
CID 123857740
1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane
CID 123154115
5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
CID 21138604
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;4-[difluoro-(4-methylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 143266126
1-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-2-fluoro-4-(4-methylphenyl)benzene;ethane
CID 145331542
1-[(4-butylphenoxy)-difluoromethyl]-4-[(4-ethylphenoxy)-difluoromethyl]benzene
CID 70176489
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561

Frequently Asked Questions

What is the IUPAC name of [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane?
The IUPAC name of [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane (CID 123161853) is [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane.
What is the SMILES notation for [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane?
The canonical SMILES for [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane is Cc1ccc(OC(F)(F)c2ccc(C[SiH3])cc2)cc1.
What is the InChIKey of [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane?
The InChIKey is ITHLTZMZGXNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2OSi/c1-11-2-8-14(9-3-11)18-15(16,17)13-6-4-12(10-19)5-7-13/h2-9H,10H2,1,19H3.
What are the key properties of [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane?
[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane has a molecular weight of 278.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane is sourced from PubChem (CID 123161853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).