(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

C14H22F2N2O2Si — CID 164860021

IUPAC(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C14H22F2N2O2Si/c1-21(2,3)7-6-20-10-18-5-4-17-13(18)12(19)11-8-14(15,16)9-11/h4-5,11H,6-10H2,1-3H3
InChIKeyFUQMDHOYVUKWHD-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.42
Rot. Bonds7

About (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (PubChem CID 164860021) has the molecular formula C14H22F2N2O2Si and a molecular weight of 316.42 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
PubChem CID164860021
Molecular FormulaC14H22F2N2O2Si
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC Name(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)C1CC(F)(F)C1
InChIInChI=1S/C14H22F2N2O2Si/c1-21(2,3)7-6-20-10-18-5-4-17-13(18)12(19)11-8-14(15,16)9-11/h4-5,11H,6-10H2,1-3H3
InChIKeyFUQMDHOYVUKWHD-UHFFFAOYSA-N
XLogP3.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990
(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 155711450
N-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 155615799
tert-butyl 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67201133
(NE)-N-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140658225
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994
3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
CID 68954118
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (CID 164860021) is (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is C[Si](C)(C)CCOCn1ccnc1C(=O)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The InChIKey is FUQMDHOYVUKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2Si/c1-21(2,3)7-6-20-10-18-5-4-17-13(18)12(19)11-8-14(15,16)9-11/h4-5,11H,6-10H2,1-3H3.
What are the key properties of (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
(3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone has a molecular weight of 316.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is sourced from PubChem (CID 164860021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).