1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene

C10H9Cl2F3O — CID 103210534

IUPAC1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
SMILESFC(F)(F)COCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2F3O/c11-8-3-1-7(2-4-8)9(12)5-16-6-10(13,14)15/h1-4,9H,5-6H2
InChIKeyWNPCOVBUOZUTDI-UHFFFAOYSA-N
MW273.08 g/mol
LogP4.20
Rot. Bonds4

About 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene

1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene (PubChem CID 103210534) has the molecular formula C10H9Cl2F3O and a molecular weight of 273.08 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
PubChem CID103210534
Molecular FormulaC10H9Cl2F3O
Molecular Weight273.08 g/mol
Exact Mass272.00
IUPAC Name1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
SMILESFC(F)(F)COCC(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2F3O/c11-8-3-1-7(2-4-8)9(12)5-16-6-10(13,14)15/h1-4,9H,5-6H2
InChIKeyWNPCOVBUOZUTDI-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
CID 103210637
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
CID 103211043
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 103211141
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
CID 102144336
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103210715
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62601816
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
CID 103211115

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene (CID 103210534) is 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene is FC(F)(F)COCC(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene?
The InChIKey is WNPCOVBUOZUTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O/c11-8-3-1-7(2-4-8)9(12)5-16-6-10(13,14)15/h1-4,9H,5-6H2.
What are the key properties of 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene?
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene has a molecular weight of 273.08 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene is sourced from PubChem (CID 103210534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).