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

C14H11ClF2O — CID 107691116

IUPAC4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c15-8-10-4-5-14(13(17)7-10)18-9-11-2-1-3-12(16)6-11/h1-7H,8-9H2
InChIKeyPAQRJHIPKUMWLL-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.28
Rot. Bonds4

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

4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene (PubChem CID 107691116) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
PubChem CID107691116
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(CCl)cc2F)c1
InChIInChI=1S/C14H11ClF2O/c15-8-10-4-5-14(13(17)7-10)18-9-11-2-1-3-12(16)6-11/h1-7H,8-9H2
InChIKeyPAQRJHIPKUMWLL-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

4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168529494

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene (CID 107691116) is 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2ccc(CCl)cc2F)c1.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is PAQRJHIPKUMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-8-10-4-5-14(13(17)7-10)18-9-11-2-1-3-12(16)6-11/h1-7H,8-9H2.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene?
4-(chloromethyl)-2-fluoro-1-[(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 4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 107691116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).