(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol

C10H21F3O2Si — CID 10801202

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyFAEPYVQMJKYKIJ-QMMMGPOBSA-N
MW258.36 g/mol
LogP3.32
Rot. Bonds4

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol (PubChem CID 10801202) has the molecular formula C10H21F3O2Si and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
PubChem CID10801202
Molecular FormulaC10H21F3O2Si
Molecular Weight258.36 g/mol
Exact Mass258.13
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCO)C(F)(F)F
InChIInChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyFAEPYVQMJKYKIJ-QMMMGPOBSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 21838746
(S)-3-((Tert-butyldimethylsilyl)oxy)-1,1-difluoropropan-2-OL
CID 102153916
1-Butanol, 3-t-butyldimethylsilyloxy-
CID 554645
1-Butanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3R)-
CID 11052750
4-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorobutan-2-ol
CID 85611637
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
CID 102039374
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
CID 135041139
[(1R,2S,3R)-2-fluoro-3-tri(propan-2-yl)silyloxycyclopropyl]methanol
CID 135062253
(S)-4-(tert-butyldimethylsilyloxy)butan-2-ol
CID 10998136
4-((tert-Butyldimethylsilyl)oxy)butan-2-ol
CID 11019995
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 11521739
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-propan-1-ol
CID 57927149

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol (CID 10801202) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H](CCO)C(F)(F)F.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
The InChIKey is FAEPYVQMJKYKIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21F3O2Si/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8,14H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 10801202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).