4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene

C16H13BrF2O — CID 156555603

IUPAC4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
SMILESFC1(F)CC1c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H13BrF2O/c17-12-6-7-15(13(8-12)14-9-16(14,18)19)20-10-11-4-2-1-3-5-11/h1-8,14H,9-10H2
InChIKeyFZIJQBUSXSGHKJ-UHFFFAOYSA-N
MW339.18 g/mol
LogP5.15
Rot. Bonds4

About 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene

4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene (PubChem CID 156555603) has the molecular formula C16H13BrF2O and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
PubChem CID156555603
Molecular FormulaC16H13BrF2O
Molecular Weight339.18 g/mol
Exact Mass338.01
IUPAC Name4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
SMILESFC1(F)CC1c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H13BrF2O/c17-12-6-7-15(13(8-12)14-9-16(14,18)19)20-10-11-4-2-1-3-5-11/h1-8,14H,9-10H2
InChIKeyFZIJQBUSXSGHKJ-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.18
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 4721719
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16634009
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene (CID 156555603) is 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene is FC1(F)CC1c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene?
The InChIKey is FZIJQBUSXSGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O/c17-12-6-7-15(13(8-12)14-9-16(14,18)19)20-10-11-4-2-1-3-5-11/h1-8,14H,9-10H2.
What are the key properties of 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene?
4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene has a molecular weight of 339.18 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 156555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).