1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene

C14H11ClF2O — CID 43658993

IUPAC1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
SMILESFc1cccc(COc2cccc(CCl)c2)c1F
InChIInChI=1S/C14H11ClF2O/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16)14(11)17/h1-7H,8-9H2
InChIKeyQMHDLLYXXCDFHL-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.28
Rot. Bonds4

About 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene

1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene (PubChem CID 43658993) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
PubChem CID43658993
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
SMILESFc1cccc(COc2cccc(CCl)c2)c1F
InChIInChI=1S/C14H11ClF2O/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(16)14(11)17/h1-7H,8-9H2
InChIKeyQMHDLLYXXCDFHL-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.28
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

2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The IUPAC name of 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene (CID 43658993) is 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene is Fc1cccc(COc2cccc(CCl)c2)c1F.
What is the InChIKey of 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene?
The InChIKey is QMHDLLYXXCDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/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-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene?
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene has a molecular weight of 268.69 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene is sourced from PubChem (CID 43658993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).