[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid

C11H18F2N4O2Si — CID 151791600

IUPAC[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid
SMILESC[Si](C)(C)Cn1cc(C2(NC(=O)O)CC(F)(F)C2)nn1
InChIInChI=1S/C11H18F2N4O2Si/c1-20(2,3)7-17-4-8(15-16-17)10(14-9(18)19)5-11(12,13)6-10/h4,14H,5-7H2,1-3H3,(H,18,19)
InChIKeyRWSRTHXQUBJCED-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.05
Rot. Bonds4

About [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid

[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid (PubChem CID 151791600) has the molecular formula C11H18F2N4O2Si and a molecular weight of 304.37 g/mol. Its IUPAC name is [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid
PubChem CID151791600
Molecular FormulaC11H18F2N4O2Si
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid
SMILESC[Si](C)(C)Cn1cc(C2(NC(=O)O)CC(F)(F)C2)nn1
InChIInChI=1S/C11H18F2N4O2Si/c1-20(2,3)7-17-4-8(15-16-17)10(14-9(18)19)5-11(12,13)6-10/h4,14H,5-7H2,1-3H3,(H,18,19)
InChIKeyRWSRTHXQUBJCED-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
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(2S)-2-(4-amino-2-methylimidazol-1-yl)-3-methylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid?
The IUPAC name of [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid (CID 151791600) is [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid.
What is the SMILES notation for [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid?
The canonical SMILES for [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid is C[Si](C)(C)Cn1cc(C2(NC(=O)O)CC(F)(F)C2)nn1.
What is the InChIKey of [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid?
The InChIKey is RWSRTHXQUBJCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2Si/c1-20(2,3)7-17-4-8(15-16-17)10(14-9(18)19)5-11(12,13)6-10/h4,14H,5-7H2,1-3H3,(H,18,19).
What are the key properties of [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid?
[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid has a molecular weight of 304.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid is sourced from PubChem (CID 151791600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).