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

C14H11BrF2O — CID 79888121

IUPAC5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
SMILESFc1cc(CBr)cc(F)c1OCc1ccccc1
InChIInChI=1S/C14H11BrF2O/c15-8-11-6-12(16)14(13(17)7-11)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIKJCYWBTDUGUGI-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.44
Rot. Bonds4

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

5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene (PubChem CID 79888121) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
PubChem CID79888121
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
SMILESFc1cc(CBr)cc(F)c1OCc1ccccc1
InChIInChI=1S/C14H11BrF2O/c15-8-11-6-12(16)14(13(17)7-11)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIKJCYWBTDUGUGI-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.44
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-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
CID 102939947
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1,3-benzothiazole
CID 104631391
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene
CID 114346366
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The IUPAC name of 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene (CID 79888121) is 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The canonical SMILES for 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene is Fc1cc(CBr)cc(F)c1OCc1ccccc1.
What is the InChIKey of 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene?
The InChIKey is IKJCYWBTDUGUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/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-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene?
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene has a molecular weight of 313.14 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene is sourced from PubChem (CID 79888121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).