dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane

C19H21F3OSi — CID 166445520

IUPACdimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)C1(O[Si](C)(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3OSi/c1-14-17(15-10-6-4-7-11-15)18(14,19(20,21)22)23-24(2,3)16-12-8-5-9-13-16/h4-14,17H,1-3H3/t14-,17-,18?/m0/s1
InChIKeyCEMPHQXSMUSKSU-LNJPMGEZSA-N
MW350.46 g/mol
LogP4.85
Rot. Bonds4

About dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane

dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane (PubChem CID 166445520) has the molecular formula C19H21F3OSi and a molecular weight of 350.46 g/mol. Its IUPAC name is dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane
PubChem CID166445520
Molecular FormulaC19H21F3OSi
Molecular Weight350.46 g/mol
Exact Mass350.13
IUPAC Namedimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane
SMILESC[C@H]1[C@@H](c2ccccc2)C1(O[Si](C)(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3OSi/c1-14-17(15-10-6-4-7-11-15)18(14,19(20,21)22)23-24(2,3)16-12-8-5-9-13-16/h4-14,17H,1-3H3/t14-,17-,18?/m0/s1
InChIKeyCEMPHQXSMUSKSU-LNJPMGEZSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane?
The IUPAC name of dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane (CID 166445520) is dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane.
What is the SMILES notation for dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane?
The canonical SMILES for dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane is C[C@H]1[C@@H](c2ccccc2)C1(O[Si](C)(C)c1ccccc1)C(F)(F)F.
What is the InChIKey of dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane?
The InChIKey is CEMPHQXSMUSKSU-LNJPMGEZSA-N. The full InChI is InChI=1S/C19H21F3OSi/c1-14-17(15-10-6-4-7-11-15)18(14,19(20,21)22)23-24(2,3)16-12-8-5-9-13-16/h4-14,17H,1-3H3/t14-,17-,18?/m0/s1.
What are the key properties of dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane?
dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane has a molecular weight of 350.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S,3S)-2-methyl-3-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-phenylsilane is sourced from PubChem (CID 166445520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).