(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol

C16H26F2O2Si — CID 175109770

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol
SMILESC[C@H](CC(O)c1cc(F)ccc1F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26F2O2Si/c1-11(20-21(5,6)16(2,3)4)9-15(19)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,9H2,1-6H3/t11-,15?/m1/s1
InChIKeyLHUBUGVAOJWQJC-ZRKZCGFPSA-N
MW316.46 g/mol
LogP4.80
Rot. Bonds5

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol (PubChem CID 175109770) has the molecular formula C16H26F2O2Si and a molecular weight of 316.46 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol
PubChem CID175109770
Molecular FormulaC16H26F2O2Si
Molecular Weight316.46 g/mol
Exact Mass316.17
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol
SMILESC[C@H](CC(O)c1cc(F)ccc1F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26F2O2Si/c1-11(20-21(5,6)16(2,3)4)9-15(19)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,9H2,1-6H3/t11-,15?/m1/s1
InChIKeyLHUBUGVAOJWQJC-ZRKZCGFPSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.80
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

1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 68880010
1-(2,5-difluorophenyl)pent-3-yn-1-ol
CID 63673084
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol (CID 175109770) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol is C[C@H](CC(O)c1cc(F)ccc1F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol?
The InChIKey is LHUBUGVAOJWQJC-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H26F2O2Si/c1-11(20-21(5,6)16(2,3)4)9-15(19)13-10-12(17)7-8-14(13)18/h7-8,10-11,15,19H,9H2,1-6H3/t11-,15?/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol has a molecular weight of 316.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol is sourced from PubChem (CID 175109770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).