trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane

C9H9Cl3F2Si — CID 139911764

IUPACtrichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane
SMILESFc1cccc(C(F)CC[Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C9H9Cl3F2Si/c10-15(11,12)5-4-9(14)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2
InChIKeyBLMWIDQGMPNWQW-UHFFFAOYSA-N
MW289.61 g/mol
LogP4.88
Rot. Bonds4

About trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane

trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane (PubChem CID 139911764) has the molecular formula C9H9Cl3F2Si and a molecular weight of 289.61 g/mol. Its IUPAC name is trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane
PubChem CID139911764
Molecular FormulaC9H9Cl3F2Si
Molecular Weight289.61 g/mol
Exact Mass287.95
IUPAC Nametrichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane
SMILESFc1cccc(C(F)CC[Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C9H9Cl3F2Si/c10-15(11,12)5-4-9(14)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2
InChIKeyBLMWIDQGMPNWQW-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-4-(3-fluorophenyl)butan-1-amine
CID 83855480
tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
CID 141111564
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
CID 139789232
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 105452091
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane?
The IUPAC name of trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane (CID 139911764) is trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane.
What is the SMILES notation for trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane?
The canonical SMILES for trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane is Fc1cccc(C(F)CC[Si](Cl)(Cl)Cl)c1.
What is the InChIKey of trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane?
The InChIKey is BLMWIDQGMPNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3F2Si/c10-15(11,12)5-4-9(14)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2.
What are the key properties of trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane?
trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane has a molecular weight of 289.61 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane is sourced from PubChem (CID 139911764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).