CID 171063269

C12H11ClF3OSi — CID 171063269

IUPAC—
SMILESC[Si](CCl)CC#Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11ClF3OSi/c1-18(9-13)8-2-3-10-4-6-11(7-5-10)17-12(14,15)16/h4-7H,8-9H2,1H3
InChIKeyDRKANGNCOYERAM-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.84
Rot. Bonds3

About CID 171063269

CID 171063269 (PubChem CID 171063269) has the molecular formula C12H11ClF3OSi and a molecular weight of 291.75 g/mol.

Molecular Properties

Compound NameCID 171063269
PubChem CID171063269
Molecular FormulaC12H11ClF3OSi
Molecular Weight291.75 g/mol
Exact Mass291.02
IUPAC Name—
SMILESC[Si](CCl)CC#Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11ClF3OSi/c1-18(9-13)8-2-3-10-4-6-11(7-5-10)17-12(14,15)16/h4-7H,8-9H2,1H3
InChIKeyDRKANGNCOYERAM-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 171063269 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

1-methoxy-4-[5-[4-(trifluoromethoxy)phenyl]penta-1,4-diynyl]benzene
CID 144581648
4-[4-(trifluoromethoxy)phenyl]but-3-ynenitrile
CID 170475373
2-methyl-6-[4-(trifluoromethoxy)phenyl]hex-5-yn-2-ol
CID 69465122
N-(3-phenylprop-2-ynyl)-4-(trifluoromethoxy)aniline
CID 62339511
3-[4-(trifluoromethoxy)phenyl]prop-2-ynenitrile
CID 116791032
N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90553121
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-[4-(trifluoromethoxy)phenyl]hex-1-yn-3-amine
CID 106226249
3-benzyl-1-methyl-6-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine
CID 22508988
1-[(E)-1,2-difluoropent-1-enyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 22991314
1-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54231732
1-(3-chloroprop-1-ynyl)-4-methoxybenzene
CID 60801100

Frequently Asked Questions

What is the IUPAC name of CID 171063269?
The IUPAC name of CID 171063269 (CID 171063269) is not available.
What is the SMILES notation for CID 171063269?
The canonical SMILES for CID 171063269 is C[Si](CCl)CC#Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of CID 171063269?
The InChIKey is DRKANGNCOYERAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3OSi/c1-18(9-13)8-2-3-10-4-6-11(7-5-10)17-12(14,15)16/h4-7H,8-9H2,1H3.
What are the key properties of CID 171063269?
CID 171063269 has a molecular weight of 291.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171063269 is sourced from PubChem (CID 171063269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).