5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene

C14H11ClF2O — CID 79887883

IUPAC5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
SMILESFc1cc(CCl)cc(F)c1OCc1ccccc1
InChIInChI=1S/C14H11ClF2O/c15-8-11-6-12(16)14(13(17)7-11)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyUBLQAMIANPAYNY-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.28
Rot. Bonds4

About 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene

5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene (PubChem CID 79887883) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
PubChem CID79887883
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
SMILESFc1cc(CCl)cc(F)c1OCc1ccccc1
InChIInChI=1S/C14H11ClF2O/c15-8-11-6-12(16)14(13(17)7-11)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyUBLQAMIANPAYNY-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

5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
5-(chloromethyl)-1,3-difluoro-2-[(3-nitrophenyl)methoxy]benzene
CID 79881044
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene (CID 79887883) is 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene is Fc1cc(CCl)cc(F)c1OCc1ccccc1.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The InChIKey is UBLQAMIANPAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-8-11-6-12(16)14(13(17)7-11)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene?
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene 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 5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene is sourced from PubChem (CID 79887883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).