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

C14H11BrF2O — CID 107691588

IUPAC4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C14H11BrF2O/c15-8-11-3-6-14(13(17)7-11)18-9-10-1-4-12(16)5-2-10/h1-7H,8-9H2
InChIKeyBZAKWBZFTOTVFU-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.44
Rot. Bonds4

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

4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene (PubChem CID 107691588) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
PubChem CID107691588
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C14H11BrF2O/c15-8-11-3-6-14(13(17)7-11)18-9-10-1-4-12(16)5-2-10/h1-7H,8-9H2
InChIKeyBZAKWBZFTOTVFU-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

4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
CID 107691509
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
CID 107691579
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene (CID 107691588) is 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2ccc(CBr)cc2F)cc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is BZAKWBZFTOTVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-8-11-3-6-14(13(17)7-11)18-9-10-1-4-12(16)5-2-10/h1-7H,8-9H2.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene?
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene 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 4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 107691588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).