[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane

C21H18F4OSi — CID 123857740

IUPAC[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane
SMILESCc1c(F)cc(OC(F)(F)c2ccc(-c3ccc(C[SiH3])cc3)cc2)cc1F
InChIInChI=1S/C21H18F4OSi/c1-13-19(22)10-18(11-20(13)23)26-21(24,25)17-8-6-16(7-9-17)15-4-2-14(12-27)3-5-15/h2-11H,12H2,1,27H3
InChIKeyYFGDZIKYVZBNCX-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.93
Rot. Bonds5

About [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane

[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane (PubChem CID 123857740) has the molecular formula C21H18F4OSi and a molecular weight of 390.45 g/mol. Its IUPAC name is [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane.

Molecular Properties

Compound Name[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane
PubChem CID123857740
Molecular FormulaC21H18F4OSi
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane
SMILESCc1c(F)cc(OC(F)(F)c2ccc(-c3ccc(C[SiH3])cc3)cc2)cc1F
InChIInChI=1S/C21H18F4OSi/c1-13-19(22)10-18(11-20(13)23)26-21(24,25)17-8-6-16(7-9-17)15-4-2-14(12-27)3-5-15/h2-11H,12H2,1,27H3
InChIKeyYFGDZIKYVZBNCX-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.93
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-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
CID 21138604
[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
CID 123161853
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
[4-[difluoro-(4-methylphenyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363258
5-[4-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-methylbenzene
CID 145464102
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88999007
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 118360414
5-[[4-(4-but-3-enylphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222318

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane?
The IUPAC name of [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane (CID 123857740) is [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane.
What is the SMILES notation for [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane?
The canonical SMILES for [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane is Cc1c(F)cc(OC(F)(F)c2ccc(-c3ccc(C[SiH3])cc3)cc2)cc1F.
What is the InChIKey of [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane?
The InChIKey is YFGDZIKYVZBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4OSi/c1-13-19(22)10-18(11-20(13)23)26-21(24,25)17-8-6-16(7-9-17)15-4-2-14(12-27)3-5-15/h2-11H,12H2,1,27H3.
What are the key properties of [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane?
[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane has a molecular weight of 390.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane is sourced from PubChem (CID 123857740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).