1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol

C15H15BrF2O2 — CID 103210358

IUPAC1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrF2O2/c16-13-6-5-12(10-3-1-2-4-11(10)13)14(19)7-8-20-9-15(17)18/h1-6,14-15,19H,7-9H2
InChIKeyFGQZZILHJNHTJA-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.31
Rot. Bonds6

About 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol

1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol (PubChem CID 103210358) has the molecular formula C15H15BrF2O2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
PubChem CID103210358
Molecular FormulaC15H15BrF2O2
Molecular Weight345.18 g/mol
Exact Mass344.02
IUPAC Name1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrF2O2/c16-13-6-5-12(10-3-1-2-4-11(10)13)14(19)7-8-20-9-15(17)18/h1-6,14-15,19H,7-9H2
InChIKeyFGQZZILHJNHTJA-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol (CID 103210358) is 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol is OC(CCOCC(F)F)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The InChIKey is FGQZZILHJNHTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2O2/c16-13-6-5-12(10-3-1-2-4-11(10)13)14(19)7-8-20-9-15(17)18/h1-6,14-15,19H,7-9H2.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol has a molecular weight of 345.18 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol is sourced from PubChem (CID 103210358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).