[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol

C14H29FO2Si — CID 134947755

IUPAC[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
SMILESCC(C)[Si](OC[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C14H29FO2Si/c1-9(2)18(10(3)4,11(5)6)17-8-13-12(7-16)14(13)15/h9-14,16H,7-8H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyBIEQIUBYSSMYRN-MCIONIFRSA-N
MW276.47 g/mol
LogP3.75
Rot. Bonds7

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

[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol (PubChem CID 134947755) has the molecular formula C14H29FO2Si and a molecular weight of 276.47 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
PubChem CID134947755
Molecular FormulaC14H29FO2Si
Molecular Weight276.47 g/mol
Exact Mass276.19
IUPAC Name[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
SMILESCC(C)[Si](OC[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C14H29FO2Si/c1-9(2)18(10(3)4,11(5)6)17-8-13-12(7-16)14(13)15/h9-14,16H,7-8H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyBIEQIUBYSSMYRN-MCIONIFRSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.75
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

[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 135080533
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 73298981
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 135061402
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(cis-2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopropyl)methanol
CID 69296261
[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 166561250
(2R,4S)-5-dimethylsilyloxy-2-fluoro-2,4-dimethylpentan-1-ol
CID 173746553
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10060505
(2R,4R)-5-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10634197
[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 16655222
rel-((1R,2R)-2-(((tert-Butyldimethylsilyl)oxy)methyl)-1-fluoro-2-methylcyclopropyl)methanol
CID 16656302

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol (CID 134947755) is [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol is CC(C)[Si](OC[C@H]1[C@@H](F)[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The InChIKey is BIEQIUBYSSMYRN-MCIONIFRSA-N. The full InChI is InChI=1S/C14H29FO2Si/c1-9(2)18(10(3)4,11(5)6)17-8-13-12(7-16)14(13)15/h9-14,16H,7-8H2,1-6H3/t12-,13-,14+/m1/s1.
What are the key properties of [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol has a molecular weight of 276.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 134947755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).