(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol

C14H22FNOSi — CID 169321851

IUPAC(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[Si](C)(C[C@@H](O)[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H22FNOSi/c1-18(2,12-7-5-11(15)6-8-12)10-14(17)13-4-3-9-16-13/h5-8,13-14,16-17H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyFCFAGTFBGDINKV-UONOGXRCSA-N
MW267.42 g/mol
LogP1.85
Rot. Bonds4

About (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 169321851) has the molecular formula C14H22FNOSi and a molecular weight of 267.42 g/mol. Its IUPAC name is (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID169321851
Molecular FormulaC14H22FNOSi
Molecular Weight267.42 g/mol
Exact Mass267.15
IUPAC Name(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESC[Si](C)(C[C@@H](O)[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H22FNOSi/c1-18(2,12-7-5-11(15)6-8-12)10-14(17)13-4-3-9-16-13/h5-8,13-14,16-17H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyFCFAGTFBGDINKV-UONOGXRCSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[bis(4-fluorophenyl)-methylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 169321892
2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 174098149
tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 175426114
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 67294109
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
CID 73075636
(1S)-2-[methyl(diphenyl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 73331702
(1S)-2-[methyl(diphenyl)silyl]-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 73331703
(1S)-2-[methyl(diphenyl)silyl]-1-pyrrolidin-2-ylethanol
CID 89921742
(1R)-2-[methyl(diphenyl)silyl]-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 89921974
(1R)-2-[methyl(diphenyl)silyl]-1-pyrrolidin-2-ylethanol
CID 89921976
[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 141285778
[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 141285785

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 169321851) is (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol is C[Si](C)(C[C@@H](O)[C@@H]1CCCN1)c1ccc(F)cc1.
What is the InChIKey of (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is FCFAGTFBGDINKV-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22FNOSi/c1-18(2,12-7-5-11(15)6-8-12)10-14(17)13-4-3-9-16-13/h5-8,13-14,16-17H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 267.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(4-fluorophenyl)-dimethylsilyl]-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 169321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).