2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene

C14H11BrF2O — CID 154815122

IUPAC2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
SMILESFC(F)c1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrF2O/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyZEWSJFMQIHOXDF-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.97
Rot. Bonds4

About 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene

2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene (PubChem CID 154815122) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
PubChem CID154815122
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
SMILESFC(F)c1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrF2O/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyZEWSJFMQIHOXDF-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
CID 156877235
[3-(difluoromethyl)-4-(4-phenylmethoxyphenyl)phenyl]methanol
CID 170919037
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene?
The IUPAC name of 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene (CID 154815122) is 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene is FC(F)c1ccc(OCc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene?
The InChIKey is ZEWSJFMQIHOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,14H,9H2.
What are the key properties of 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene?
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene has a molecular weight of 313.14 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 154815122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).