[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane

C19H20F6O3Si — CID 90174042

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](OC)(OC(C)C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F6O3Si/c1-12(2)28-29(26-3,27-4)17-7-5-13(6-8-17)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h5-12H,1-4H3
InChIKeyIPSVPQGZLXBWRO-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.25
Rot. Bonds6

About [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane

[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane (PubChem CID 90174042) has the molecular formula C19H20F6O3Si and a molecular weight of 438.44 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
PubChem CID90174042
Molecular FormulaC19H20F6O3Si
Molecular Weight438.44 g/mol
Exact Mass438.11
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](OC)(OC(C)C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F6O3Si/c1-12(2)28-29(26-3,27-4)17-7-5-13(6-8-17)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h5-12H,1-4H3
InChIKeyIPSVPQGZLXBWRO-UHFFFAOYSA-N
XLogP5.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-di(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90170531
tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90171331
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
CID 90173471
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
CID 90171280
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
(4-iodophenyl)-methoxy-di(propan-2-yloxy)silane
CID 23496503
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane (CID 90174042) is [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane is CO[Si](OC)(OC(C)C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane?
The InChIKey is IPSVPQGZLXBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6O3Si/c1-12(2)28-29(26-3,27-4)17-7-5-13(6-8-17)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h5-12H,1-4H3.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane?
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane has a molecular weight of 438.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane is sourced from PubChem (CID 90174042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).