1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene

C10H12ClFO2 — CID 80695590

IUPAC1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
SMILESCOc1cccc(CCl)c1OCCF
InChIInChI=1S/C10H12ClFO2/c1-13-9-4-2-3-8(7-11)10(9)14-6-5-12/h2-4H,5-7H2,1H3
InChIKeyZZLFRHWMRZBVGD-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.78
Rot. Bonds5

About 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene

1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene (PubChem CID 80695590) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
PubChem CID80695590
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
SMILESCOc1cccc(CCl)c1OCCF
InChIInChI=1S/C10H12ClFO2/c1-13-9-4-2-3-8(7-11)10(9)14-6-5-12/h2-4H,5-7H2,1H3
InChIKeyZZLFRHWMRZBVGD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-(chloromethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957914
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
CID 80694612
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877183
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene (CID 80695590) is 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene is COc1cccc(CCl)c1OCCF.
What is the InChIKey of 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene?
The InChIKey is ZZLFRHWMRZBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-13-9-4-2-3-8(7-11)10(9)14-6-5-12/h2-4H,5-7H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene?
1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene has a molecular weight of 218.65 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene is sourced from PubChem (CID 80695590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).