1-(chloromethyl)-4-(2-fluorophenoxy)benzene

C13H10ClFO — CID 22293096

IUPAC1-(chloromethyl)-4-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1ccc(CCl)cc1
InChIInChI=1S/C13H10ClFO/c14-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15/h1-8H,9H2
InChIKeyJAWSBINJJXOPOY-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.36
Rot. Bonds3

About 1-(chloromethyl)-4-(2-fluorophenoxy)benzene

1-(chloromethyl)-4-(2-fluorophenoxy)benzene (PubChem CID 22293096) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(2-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(2-fluorophenoxy)benzene
PubChem CID22293096
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name1-(chloromethyl)-4-(2-fluorophenoxy)benzene
SMILESFc1ccccc1Oc1ccc(CCl)cc1
InChIInChI=1S/C13H10ClFO/c14-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15/h1-8H,9H2
InChIKeyJAWSBINJJXOPOY-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.36
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

1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-[4-(2-fluorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 145011426
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
1-(2-chloro-2-nitrosoethyl)-4-(2-fluorophenoxy)benzene
CID 91152313
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
1-(chloromethyl)-2-fluoro-3-phenoxybenzene
CID 141096763
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(2-fluorophenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-4-(2-fluorophenoxy)benzene (CID 22293096) is 1-(chloromethyl)-4-(2-fluorophenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(2-fluorophenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(2-fluorophenoxy)benzene is Fc1ccccc1Oc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(2-fluorophenoxy)benzene?
The InChIKey is JAWSBINJJXOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c14-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15/h1-8H,9H2.
What are the key properties of 1-(chloromethyl)-4-(2-fluorophenoxy)benzene?
1-(chloromethyl)-4-(2-fluorophenoxy)benzene has a molecular weight of 236.67 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(2-fluorophenoxy)benzene is sourced from PubChem (CID 22293096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).