trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane

C9H8Cl3F3Si — CID 22373348

IUPACtrichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCC(c1cccc(C(F)(F)F)c1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3F3Si/c1-6(16(10,11)12)7-3-2-4-8(5-7)9(13,14)15/h2-6H,1H3
InChIKeyDDLFFKZQRYDWBA-UHFFFAOYSA-N
MW307.60 g/mol
LogP5.00
Rot. Bonds2

About trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane

trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane (PubChem CID 22373348) has the molecular formula C9H8Cl3F3Si and a molecular weight of 307.60 g/mol. Its IUPAC name is trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Nametrichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
PubChem CID22373348
Molecular FormulaC9H8Cl3F3Si
Molecular Weight307.60 g/mol
Exact Mass305.94
IUPAC Nametrichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
SMILESCC(c1cccc(C(F)(F)F)c1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3F3Si/c1-6(16(10,11)12)7-3-2-4-8(5-7)9(13,14)15/h2-6H,1H3
InChIKeyDDLFFKZQRYDWBA-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.60
LogP ≤ 55.00
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

(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
CID 123680621
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081

Frequently Asked Questions

What is the IUPAC name of trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane?
The IUPAC name of trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane (CID 22373348) is trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane.
What is the SMILES notation for trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane?
The canonical SMILES for trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane is CC(c1cccc(C(F)(F)F)c1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane?
The InChIKey is DDLFFKZQRYDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F3Si/c1-6(16(10,11)12)7-3-2-4-8(5-7)9(13,14)15/h2-6H,1H3.
What are the key properties of trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane?
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane has a molecular weight of 307.60 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane is sourced from PubChem (CID 22373348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).