5-(bromomethyl)-2-decoxy-1,3-difluorobenzene

C17H25BrF2O — CID 79881356

IUPAC5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
SMILESCCCCCCCCCCOc1c(F)cc(CBr)cc1F
InChIInChI=1S/C17H25BrF2O/c1-2-3-4-5-6-7-8-9-10-21-17-15(19)11-14(13-18)12-16(17)20/h11-12H,2-10,13H2,1H3
InChIKeyRLHWCOWVGBZSJT-UHFFFAOYSA-N
MW363.29 g/mol
LogP6.38
Rot. Bonds11

About 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene

5-(bromomethyl)-2-decoxy-1,3-difluorobenzene (PubChem CID 79881356) has the molecular formula C17H25BrF2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
PubChem CID79881356
Molecular FormulaC17H25BrF2O
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
SMILESCCCCCCCCCCOc1c(F)cc(CBr)cc1F
InChIInChI=1S/C17H25BrF2O/c1-2-3-4-5-6-7-8-9-10-21-17-15(19)11-14(13-18)12-16(17)20/h11-12H,2-10,13H2,1H3
InChIKeyRLHWCOWVGBZSJT-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
1,2,3,4,5,6-hexakis(4-decoxy-3,5-difluorophenyl)benzene
CID 101373438
5-(bromomethyl)-2-(3-ethylsulfonylpropoxy)-1,3-difluorobenzene
CID 79888367
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
5-(bromomethyl)-1-methyl-2,3-dioctadecoxybenzene
CID 68925846
3,5-difluoro-4-hexoxybenzoic acid
CID 63183875
1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798
5-(bromomethyl)-1-chloro-2-hexoxy-3-methoxybenzene
CID 43324495
5-(bromomethyl)-1-chloro-3-methoxy-2-octoxybenzene
CID 43324494

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene?
The IUPAC name of 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene (CID 79881356) is 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene.
What is the SMILES notation for 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene?
The canonical SMILES for 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene is CCCCCCCCCCOc1c(F)cc(CBr)cc1F.
What is the InChIKey of 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene?
The InChIKey is RLHWCOWVGBZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrF2O/c1-2-3-4-5-6-7-8-9-10-21-17-15(19)11-14(13-18)12-16(17)20/h11-12H,2-10,13H2,1H3.
What are the key properties of 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene?
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene has a molecular weight of 363.29 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-decoxy-1,3-difluorobenzene is sourced from PubChem (CID 79881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).