1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene

C10H9BrF2O — CID 118560278

IUPAC1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
SMILESFC1(F)CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrF2O/c11-7-1-3-8(4-2-7)14-9-5-10(12,13)6-9/h1-4,9H,5-6H2
InChIKeyBRRBCQHPCQQSJG-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.63
Rot. Bonds2

About 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene

1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene (PubChem CID 118560278) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
PubChem CID118560278
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
SMILESFC1(F)CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H9BrF2O/c11-7-1-3-8(4-2-7)14-9-5-10(12,13)6-9/h1-4,9H,5-6H2
InChIKeyBRRBCQHPCQQSJG-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-cyclopropyloxybenzene
CID 50998694
4-(3,3-difluorocyclobutyl)oxypyridine
CID 151538353
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CID 141093726
5-bromo-2-(3,3-difluorocyclobutyl)oxypyridine
CID 151835706
1-bromo-4-cyclopentyloxybenzene
CID 22599958
3-(4-bromophenoxy)-1-methylcyclobutane-1-carboxylic acid
CID 177227757
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
4-(4-bromophenoxy)thiane
CID 134090229
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride
CID 177227566
1-bromo-4-(3-propylcyclopentyl)oxybenzene
CID 141355711

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene?
The IUPAC name of 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene (CID 118560278) is 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene.
What is the SMILES notation for 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene?
The canonical SMILES for 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene is FC1(F)CC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene?
The InChIKey is BRRBCQHPCQQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c11-7-1-3-8(4-2-7)14-9-5-10(12,13)6-9/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene?
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene has a molecular weight of 263.08 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene is sourced from PubChem (CID 118560278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).