1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene

C17H25BrF2O — CID 152671915

IUPAC1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene
SMILESFC(F)CCCCCCCCCOc1ccccc1CBr
InChIInChI=1S/C17H25BrF2O/c18-14-15-10-7-8-11-16(15)21-13-9-5-3-1-2-4-6-12-17(19)20/h7-8,10-11,17H,1-6,9,12-14H2
InChIKeyZLSKFEYXXOYREL-UHFFFAOYSA-N
MW363.29 g/mol
LogP6.35
Rot. Bonds12

About 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene

1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene (PubChem CID 152671915) has the molecular formula C17H25BrF2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene
PubChem CID152671915
Molecular FormulaC17H25BrF2O
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene
SMILESFC(F)CCCCCCCCCOc1ccccc1CBr
InChIInChI=1S/C17H25BrF2O/c18-14-15-10-7-8-11-16(15)21-13-9-5-3-1-2-4-6-12-17(19)20/h7-8,10-11,17H,1-6,9,12-14H2
InChIKeyZLSKFEYXXOYREL-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 56.35
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

1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
2-[2-(10,10-difluorodecoxy)phenyl]acetonitrile
CID 151705532
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
CID 64567747
1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene
CID 151671980
1-(bromomethyl)-2-fluoro-3-octoxybenzene
CID 19033781
1-(bromomethyl)-2-(4-phenoxybutoxy)benzene;triphenylphosphane
CID 88620751
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
1-decyl-2-(5-methoxyhexoxy)benzene
CID 57268252
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1-ethyl-2-heptoxybenzene
CID 22723794

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene (CID 152671915) is 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene is FC(F)CCCCCCCCCOc1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene?
The InChIKey is ZLSKFEYXXOYREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrF2O/c18-14-15-10-7-8-11-16(15)21-13-9-5-3-1-2-4-6-12-17(19)20/h7-8,10-11,17H,1-6,9,12-14H2.
What are the key properties of 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene?
1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene has a molecular weight of 363.29 g/mol, XLogP of 6.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene is sourced from PubChem (CID 152671915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).