[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

C24H31F4NOSi — CID 142685120

IUPAC[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1cc(CF)cc(CF)c1)(c1cc(CF)cc(CF)c1)[C@@H]1CCCN1
InChIInChI=1S/C24H31F4NOSi/c1-31(2,3)30-24(23-5-4-6-29-23,21-9-17(13-25)7-18(10-21)14-26)22-11-19(15-27)8-20(12-22)16-28/h7-12,23,29H,4-6,13-16H2,1-3H3/t23-/m0/s1
InChIKeyRGIUACLHLPPTBM-QHCPKHFHSA-N
MW453.60 g/mol
LogP6.41
Rot. Bonds9

About [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 142685120) has the molecular formula C24H31F4NOSi and a molecular weight of 453.60 g/mol. Its IUPAC name is [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID142685120
Molecular FormulaC24H31F4NOSi
Molecular Weight453.60 g/mol
Exact Mass453.21
IUPAC Name[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1cc(CF)cc(CF)c1)(c1cc(CF)cc(CF)c1)[C@@H]1CCCN1
InChIInChI=1S/C24H31F4NOSi/c1-31(2,3)30-24(23-5-4-6-29-23,21-9-17(13-25)7-18(10-21)14-26)22-11-19(15-27)8-20(12-22)16-28/h7-12,23,29H,4-6,13-16H2,1-3H3/t23-/m0/s1
InChIKeyRGIUACLHLPPTBM-QHCPKHFHSA-N
XLogP6.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.60
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dinaphthalen-1-yl(pyrrolidin-2-yl)methoxy]-trimethylsilane
CID 69476600
trimethyl-[10-[(2S)-pyrrolidin-2-yl]nonadecan-10-yloxy]silane
CID 101449270
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]-methoxy-[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 88534529
2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane
CID 141460605
CID 136798627
CID 136798627
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(2R)-2-[bis[3,5-bis(trifluoromethyl)phenyl]-(5-butyl-14,14-dimethyloctadecan-5-yl)oxymethyl]pyrrolidine
CID 152604508
[diphenyl-[(2S)-pyrrolidin-2-yl]methyl] dimethyl borate
CID 71068491
5-methyl-3-(2-pyrrolidin-2-ylpropan-2-yl)-1,2-oxazole
CID 83907737
(2S)-2-[1,1-bis(4-ethylphenyl)ethyl]pyrrolidine
CID 59628636
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373

Frequently Asked Questions

What is the IUPAC name of [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 142685120) is [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is C[Si](C)(C)OC(c1cc(CF)cc(CF)c1)(c1cc(CF)cc(CF)c1)[C@@H]1CCCN1.
What is the InChIKey of [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is RGIUACLHLPPTBM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31F4NOSi/c1-31(2,3)30-24(23-5-4-6-29-23,21-9-17(13-25)7-18(10-21)14-26)22-11-19(15-27)8-20(12-22)16-28/h7-12,23,29H,4-6,13-16H2,1-3H3/t23-/m0/s1.
What are the key properties of [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
[bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 453.60 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[3,5-bis(fluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 142685120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).