3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane

C14H22F2O2Si — CID 90172780

IUPAC3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCc1ccc(F)c(F)c1)OCC
InChIInChI=1S/C14H22F2O2Si/c1-4-17-19(3,18-5-2)10-6-7-12-8-9-13(15)14(16)11-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCCNZMFFICVGTQZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.04
Rot. Bonds8

About 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane

3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane (PubChem CID 90172780) has the molecular formula C14H22F2O2Si and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
PubChem CID90172780
Molecular FormulaC14H22F2O2Si
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCc1ccc(F)c(F)c1)OCC
InChIInChI=1S/C14H22F2O2Si/c1-4-17-19(3,18-5-2)10-6-7-12-8-9-13(15)14(16)11-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCCNZMFFICVGTQZ-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane 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

CID 90171880
CID 90171880
1,2-difluoro-4-propylbenzene;methane
CID 160697343
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
(3,4-difluorophenyl)-diethoxy-methylsilane
CID 90172653
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
CID 90175268
CID 90175268
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174294
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane?
The IUPAC name of 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane (CID 90172780) is 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane.
What is the SMILES notation for 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane?
The canonical SMILES for 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane is CCO[Si](C)(CCCc1ccc(F)c(F)c1)OCC.
What is the InChIKey of 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane?
The InChIKey is CCNZMFFICVGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O2Si/c1-4-17-19(3,18-5-2)10-6-7-12-8-9-13(15)14(16)11-12/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane?
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane has a molecular weight of 288.41 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane is sourced from PubChem (CID 90172780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).