2-bromo-1-fluorododecane

C12H24BrF — CID 12938124

IUPAC2-bromo-1-fluorododecane
SMILESCCCCCCCCCCC(Br)CF
InChIInChI=1S/C12H24BrF/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12H,2-11H2,1H3
InChIKeyYVCRNMJMGDUFRY-UHFFFAOYSA-N
MW267.23 g/mol
LogP5.25
Rot. Bonds10

About 2-bromo-1-fluorododecane

2-bromo-1-fluorododecane (PubChem CID 12938124) has the molecular formula C12H24BrF and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-bromo-1-fluorododecane.

Molecular Properties

Compound Name2-bromo-1-fluorododecane
PubChem CID12938124
Molecular FormulaC12H24BrF
Molecular Weight267.23 g/mol
Exact Mass266.10
IUPAC Name2-bromo-1-fluorododecane
SMILESCCCCCCCCCCC(Br)CF
InChIInChI=1S/C12H24BrF/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12H,2-11H2,1H3
InChIKeyYVCRNMJMGDUFRY-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-1-fluorododecane with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-1-fluoroheptane
CID 14433707
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
3-bromo-1,1-difluorononane
CID 24977728
1,6-dibromododecane
CID 18940788
1,3-dibromoundecane
CID 122583600
3-bromooctadecane;methanamine
CID 172853004
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
3-bromoundecan-1-ol
CID 162349376
1,4-dibromononane
CID 123668754
1,1,3-tribromooctane
CID 10861079

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluorododecane?
The IUPAC name of 2-bromo-1-fluorododecane (CID 12938124) is 2-bromo-1-fluorododecane.
What is the SMILES notation for 2-bromo-1-fluorododecane?
The canonical SMILES for 2-bromo-1-fluorododecane is CCCCCCCCCCC(Br)CF.
What is the InChIKey of 2-bromo-1-fluorododecane?
The InChIKey is YVCRNMJMGDUFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrF/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12H,2-11H2,1H3.
What are the key properties of 2-bromo-1-fluorododecane?
2-bromo-1-fluorododecane has a molecular weight of 267.23 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluorododecane is sourced from PubChem (CID 12938124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).