(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

CID 169321892
CID 169321892
CID 174098149
CID 174098149
CID 175426114
CID 175426114
CID 67294109
CID 67294109
CID 73075636
CID 73075636
CID 73331702
CID 73331702
CID 73331703
CID 73331703
CID 89921742
CID 89921742
CID 89921974
CID 89921974
CID 89921976
CID 89921976
CID 141285778
CID 141285778
CID 141285785
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).