3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene

C12H11BrF4O — CID 103289387

IUPAC3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(OCC2(CBr)CCC2)c1F
InChIInChI=1S/C12H11BrF4O/c13-5-12(2-1-3-12)6-18-11-9(16)7(14)4-8(15)10(11)17/h4H,1-3,5-6H2
InChIKeyABUHXDQSBKSFBL-UHFFFAOYSA-N
MW327.12 g/mol
LogP4.19
Rot. Bonds4

About 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene

3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene (PubChem CID 103289387) has the molecular formula C12H11BrF4O and a molecular weight of 327.12 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene
PubChem CID103289387
Molecular FormulaC12H11BrF4O
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(OCC2(CBr)CCC2)c1F
InChIInChI=1S/C12H11BrF4O/c13-5-12(2-1-3-12)6-18-11-9(16)7(14)4-8(15)10(11)17/h4H,1-3,5-6H2
InChIKeyABUHXDQSBKSFBL-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(bromomethyl)cyclobutyl]methoxy]-1,4-difluorobenzene
CID 65008006
4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
CID 114672157
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
CID 65002199
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
1-(bromomethyl)-1-[(2,4,6-trimethylphenoxy)methyl]cycloheptane
CID 65010061
1-(bromomethyl)-1-[(2-fluoro-5-methylphenoxy)methyl]cycloheptane
CID 65010017
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dimethoxybenzene
CID 65001653
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene (CID 103289387) is 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene is Fc1cc(F)c(F)c(OCC2(CBr)CCC2)c1F.
What is the InChIKey of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene?
The InChIKey is ABUHXDQSBKSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF4O/c13-5-12(2-1-3-12)6-18-11-9(16)7(14)4-8(15)10(11)17/h4H,1-3,5-6H2.
What are the key properties of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene?
3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene has a molecular weight of 327.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 103289387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).