1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene

C14H11ClF2O — CID 155677507

IUPAC1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)c(F)c2)c1
InChIInChI=1S/C14H11ClF2O/c15-8-11-4-5-13(7-14(11)17)18-9-10-2-1-3-12(16)6-10/h1-7H,8-9H2
InChIKeyMQWAVCUGOZTKOW-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.28
Rot. Bonds4

About 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene

1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene (PubChem CID 155677507) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
PubChem CID155677507
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)c(F)c2)c1
InChIInChI=1S/C14H11ClF2O/c15-8-11-4-5-13(7-14(11)17)18-9-10-2-1-3-12(16)6-10/h1-7H,8-9H2
InChIKeyMQWAVCUGOZTKOW-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

1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene (CID 155677507) is 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2ccc(CCl)c(F)c2)c1.
What is the InChIKey of 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is MQWAVCUGOZTKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-8-11-4-5-13(7-14(11)17)18-9-10-2-1-3-12(16)6-10/h1-7H,8-9H2.
What are the key properties of 1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene?
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene 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-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 155677507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).