4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol

C28H35F2NO3Si — CID 175396870

IUPAC4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol
SMILESCC(Cc1ccc(O)c(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35F2NO3Si/c1-21(17-22-15-16-25(32)26(33)18-22)31-19-28(29,30)20-34-35(27(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18,21,31-33H,17,19-20H2,1-4H3
InChIKeyFTVXPXVMGNMQSE-UHFFFAOYSA-N
MW499.67 g/mol
LogP4.83
Rot. Bonds10

About 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol

4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol (PubChem CID 175396870) has the molecular formula C28H35F2NO3Si and a molecular weight of 499.67 g/mol. Its IUPAC name is 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol
PubChem CID175396870
Molecular FormulaC28H35F2NO3Si
Molecular Weight499.67 g/mol
Exact Mass499.24
IUPAC Name4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol
SMILESCC(Cc1ccc(O)c(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35F2NO3Si/c1-21(17-22-15-16-25(32)26(33)18-22)31-19-28(29,30)20-34-35(27(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18,21,31-33H,17,19-20H2,1-4H3
InChIKeyFTVXPXVMGNMQSE-UHFFFAOYSA-N
XLogP4.83
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.67
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol with MolForge

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Related Compounds

3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
CID 156894869
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
CID 174234185
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine
CID 140830259
4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
CID 72711968
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol (CID 175396870) is 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol is CC(Cc1ccc(O)c(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol?
The InChIKey is FTVXPXVMGNMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2NO3Si/c1-21(17-22-15-16-25(32)26(33)18-22)31-19-28(29,30)20-34-35(27(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,18,21,31-33H,17,19-20H2,1-4H3.
What are the key properties of 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol?
4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol has a molecular weight of 499.67 g/mol, XLogP of 4.83, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol is sourced from PubChem (CID 175396870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).