2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite

C9H8ClF3O — CID 70887141

IUPAC2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
SMILESFC(F)(F)c1cccc(CCOCl)c1
InChIInChI=1S/C9H8ClF3O/c10-14-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2
InChIKeyDYMQVTUADWFIFY-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite

2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite (PubChem CID 70887141) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
PubChem CID70887141
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
SMILESFC(F)(F)c1cccc(CCOCl)c1
InChIInChI=1S/C9H8ClF3O/c10-14-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2
InChIKeyDYMQVTUADWFIFY-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]ethyl formate
CID 87333633
dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethoxy]silane
CID 152769137
3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
CID 141200659
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite (CID 70887141) is 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite is FC(F)(F)c1cccc(CCOCl)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite?
The InChIKey is DYMQVTUADWFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-14-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite?
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite has a molecular weight of 224.61 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite is sourced from PubChem (CID 70887141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).