1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene

C14H11Cl2FO — CID 102856363

IUPAC1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
SMILESFc1c(Cl)cccc1COc1cccc(CCl)c1
InChIInChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16)14(11)17/h1-7H,8-9H2
InChIKeyKNNARUYTCGQNTL-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.80
Rot. Bonds4

About 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene

1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene (PubChem CID 102856363) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
PubChem CID102856363
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
SMILESFc1c(Cl)cccc1COc1cccc(CCl)c1
InChIInChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16)14(11)17/h1-7H,8-9H2
InChIKeyKNNARUYTCGQNTL-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.80
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-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
1-chloro-3-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluorobenzene
CID 102858065
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
7-[(3-chloro-2-fluorophenyl)methoxy]naphthalen-2-ol
CID 102856423
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene (CID 102856363) is 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene is Fc1c(Cl)cccc1COc1cccc(CCl)c1.
What is the InChIKey of 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The InChIKey is KNNARUYTCGQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16)14(11)17/h1-7H,8-9H2.
What are the key properties of 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene has a molecular weight of 285.15 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene is sourced from PubChem (CID 102856363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).