[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane

C25H34F3IO3Si — CID 54756999

IUPAC[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H](CI)Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C25H34F3IO3Si/c1-17(2)33(18(3)4,19(5)6)30-16-24(15-29)31-22-11-7-20(8-12-22)21-9-13-23(14-10-21)32-25(26,27)28/h7-14,17-19,24H,15-16H2,1-6H3/t24-/m0/s1
InChIKeyNVFULTNCGGMJLO-DEOSSOPVSA-N
MW594.53 g/mol
LogP8.63
Rot. Bonds11

About [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane

[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane (PubChem CID 54756999) has the molecular formula C25H34F3IO3Si and a molecular weight of 594.53 g/mol. Its IUPAC name is [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane
PubChem CID54756999
Molecular FormulaC25H34F3IO3Si
Molecular Weight594.53 g/mol
Exact Mass594.13
IUPAC Name[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H](CI)Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C25H34F3IO3Si/c1-17(2)33(18(3)4,19(5)6)30-16-24(15-29)31-22-11-7-20(8-12-22)21-9-13-23(14-10-21)32-25(26,27)28/h7-14,17-19,24H,15-16H2,1-6H3/t24-/m0/s1
InChIKeyNVFULTNCGGMJLO-DEOSSOPVSA-N
XLogP8.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.53
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
CID 154277404
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
CID 83207724
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane (CID 54756999) is [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H](CI)Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane?
The InChIKey is NVFULTNCGGMJLO-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H34F3IO3Si/c1-17(2)33(18(3)4,19(5)6)30-16-24(15-29)31-22-11-7-20(8-12-22)21-9-13-23(14-10-21)32-25(26,27)28/h7-14,17-19,24H,15-16H2,1-6H3/t24-/m0/s1.
What are the key properties of [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane?
[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane has a molecular weight of 594.53 g/mol, XLogP of 8.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 54756999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).