2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene

C10H11Cl2FO2 — CID 63665649

IUPAC2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
SMILESFc1ccc(OCCOCCCl)c(Cl)c1
InChIInChI=1S/C10H11Cl2FO2/c11-3-4-14-5-6-15-10-2-1-8(13)7-9(10)12/h1-2,7H,3-6H2
InChIKeyAUHFBWCZLUNDDF-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.11
Rot. Bonds6

About 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene

2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene (PubChem CID 63665649) has the molecular formula C10H11Cl2FO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
PubChem CID63665649
Molecular FormulaC10H11Cl2FO2
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Name2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
SMILESFc1ccc(OCCOCCCl)c(Cl)c1
InChIInChI=1S/C10H11Cl2FO2/c11-3-4-14-5-6-15-10-2-1-8(13)7-9(10)12/h1-2,7H,3-6H2
InChIKeyAUHFBWCZLUNDDF-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
CID 63663798
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
1-[2-(2-chloroethoxy)ethoxy]-2,3-difluorobenzene
CID 63665653
2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
CID 146277256
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
CID 82086347
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 55093296
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene (CID 63665649) is 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene is Fc1ccc(OCCOCCCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene?
The InChIKey is AUHFBWCZLUNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2/c11-3-4-14-5-6-15-10-2-1-8(13)7-9(10)12/h1-2,7H,3-6H2.
What are the key properties of 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene?
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene has a molecular weight of 253.10 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene is sourced from PubChem (CID 63665649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).