2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene

C10H12ClFO2 — CID 175391169

IUPAC2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(F)cc1CCCl
InChIInChI=1S/C10H12ClFO2/c1-13-7-14-10-3-2-9(12)6-8(10)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyFONAKQJKHLMJHC-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.59
Rot. Bonds5

About 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene

2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene (PubChem CID 175391169) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
PubChem CID175391169
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(F)cc1CCCl
InChIInChI=1S/C10H12ClFO2/c1-13-7-14-10-3-2-9(12)6-8(10)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyFONAKQJKHLMJHC-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
CID 67282069
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
CID 65364631
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
4-bromo-1-(methoxymethoxy)-2-propylbenzene
CID 68947055
1-(2-chloroethyl)-2,4,5-trimethoxybenzene
CID 64867522
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene (CID 175391169) is 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene is COCOc1ccc(F)cc1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene?
The InChIKey is FONAKQJKHLMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-13-7-14-10-3-2-9(12)6-8(10)4-5-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene?
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene has a molecular weight of 218.65 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene is sourced from PubChem (CID 175391169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).