1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene

C14H17BrF2O — CID 65002199

IUPAC1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCC2(CBr)CCCCC2)c(F)c1
InChIInChI=1S/C14H17BrF2O/c15-9-14(6-2-1-3-7-14)10-18-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyXFLCBGVZXCPUOU-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.69
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene

1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene (PubChem CID 65002199) has the molecular formula C14H17BrF2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
PubChem CID65002199
Molecular FormulaC14H17BrF2O
Molecular Weight319.19 g/mol
Exact Mass318.04
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCC2(CBr)CCCCC2)c(F)c1
InChIInChI=1S/C14H17BrF2O/c15-9-14(6-2-1-3-7-14)10-18-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2
InChIKeyXFLCBGVZXCPUOU-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.69
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

2-[[1-(bromomethyl)cyclobutyl]methoxy]-1,4-difluorobenzene
CID 65008006
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
1-(bromomethyl)-1-[(2-fluoro-5-methylphenoxy)methyl]cycloheptane
CID 65010017
4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
CID 114672157
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-fluorobenzonitrile
CID 107670340
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-iodobenzene
CID 65002254
1-(bromomethyl)-1-[[2-(trifluoromethyl)phenoxy]methyl]cycloheptane
CID 65010543
4-[[1-(aminomethyl)cyclohexyl]methoxy]-3-fluoroaniline
CID 117096227
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene (CID 65002199) is 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene is Fc1ccc(OCC2(CBr)CCCCC2)c(F)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene?
The InChIKey is XFLCBGVZXCPUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2O/c15-9-14(6-2-1-3-7-14)10-18-13-5-4-11(16)8-12(13)17/h4-5,8H,1-3,6-7,9-10H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene?
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene has a molecular weight of 319.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene is sourced from PubChem (CID 65002199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).