[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol

C13H27FO2Si — CID 135062253

IUPAC[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol
SMILESCC(C)[Si](O[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C13H27FO2Si/c1-8(2)17(9(3)4,10(5)6)16-13-11(7-15)12(13)14/h8-13,15H,7H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyRPVOYSOQXYVZLK-RWMBFGLXSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds6

About [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol

[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol (PubChem CID 135062253) has the molecular formula C13H27FO2Si and a molecular weight of 262.44 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol
PubChem CID135062253
Molecular FormulaC13H27FO2Si
Molecular Weight262.44 g/mol
Exact Mass262.18
IUPAC Name[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol
SMILESCC(C)[Si](O[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C13H27FO2Si/c1-8(2)17(9(3)4,10(5)6)16-13-11(7-15)12(13)14/h8-13,15H,7H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyRPVOYSOQXYVZLK-RWMBFGLXSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol?
The IUPAC name of [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol (CID 135062253) is [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol is CC(C)[Si](O[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol?
The InChIKey is RPVOYSOQXYVZLK-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H27FO2Si/c1-8(2)17(9(3)4,10(5)6)16-13-11(7-15)12(13)14/h8-13,15H,7H2,1-6H3/t11-,12-,13+/m0/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol?
[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol has a molecular weight of 262.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol is sourced from PubChem (CID 135062253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).