4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene

C14H11ClF2O — CID 82918632

IUPAC4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESFc1ccc(COc2cccc(CCl)c2)cc1F
InChIInChI=1S/C14H11ClF2O/c15-8-10-2-1-3-12(6-10)18-9-11-4-5-13(16)14(17)7-11/h1-7H,8-9H2
InChIKeyNQQZSWVULUYSOL-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.28
Rot. Bonds4

About 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene

4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene (PubChem CID 82918632) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
PubChem CID82918632
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESFc1ccc(COc2cccc(CCl)c2)cc1F
InChIInChI=1S/C14H11ClF2O/c15-8-10-2-1-3-12(6-10)18-9-11-4-5-13(16)14(17)7-11/h1-7H,8-9H2
InChIKeyNQQZSWVULUYSOL-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'}

Analyze 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene (CID 82918632) is 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene is Fc1ccc(COc2cccc(CCl)c2)cc1F.
What is the InChIKey of 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene?
The InChIKey is NQQZSWVULUYSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-8-10-2-1-3-12(6-10)18-9-11-4-5-13(16)14(17)7-11/h1-7H,8-9H2.
What are the key properties of 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene?
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-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 4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene is sourced from PubChem (CID 82918632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).