(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone

C20H28FNOSi — CID 18363448

IUPAC(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H28FNOSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-18(13-22)20(23)17-7-9-19(21)10-8-17/h7-16H,1-6H3
InChIKeyLQUBMRWGAXJCPN-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.88
Rot. Bonds6

About (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone

(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (PubChem CID 18363448) has the molecular formula C20H28FNOSi and a molecular weight of 345.53 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
PubChem CID18363448
Molecular FormulaC20H28FNOSi
Molecular Weight345.53 g/mol
Exact Mass345.19
IUPAC Name(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H28FNOSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-18(13-22)20(23)17-7-9-19(21)10-8-17/h7-16H,1-6H3
InChIKeyLQUBMRWGAXJCPN-UHFFFAOYSA-N
XLogP5.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenyl-3-pyridinylmethanone
CID 21540
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
1-Naphthalenyl(1-pentyl-1H-pyrrol-3-yl)methanone
CID 9971539
1-(4-Fluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5852329
1-Phenyl-2-pyridin-3-yl-propan-1-one
CID 11356288
(E)-1-(3,4-difluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 16319272
1-Phenyl-3-pyridin-3-ylpropane-1,3-dione
CID 238447
(E)-3-(3,4-difluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854122
1-Phenyl-2-(pyridin-3-yl)ethanone
CID 238335
Methanone, cyclohexyl-3-pyridinyl-
CID 12281339
3-(3-Benzoyl-1H-pyrrol-1-yl)propanoic acid
CID 46229306
4-(3-Benzoyl-1H-pyrrol-1-yl)butanoic acid
CID 46229307

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone (CID 18363448) is (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
The InChIKey is LQUBMRWGAXJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNOSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-18(13-22)20(23)17-7-9-19(21)10-8-17/h7-16H,1-6H3.
What are the key properties of (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone?
(4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone has a molecular weight of 345.53 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-tri(propan-2-yl)silylpyrrol-3-yl]methanone is sourced from PubChem (CID 18363448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).