3-bromo-1,1-difluorononane

C9H17BrF2 — CID 24977728

IUPAC3-bromo-1,1-difluorononane
SMILESCCCCCCC(Br)CC(F)F
InChIInChI=1S/C9H17BrF2/c1-2-3-4-5-6-8(10)7-9(11)12/h8-9H,2-7H2,1H3
InChIKeyAKKPYLDUESBDRJ-UHFFFAOYSA-N
MW243.13 g/mol
LogP4.38
Rot. Bonds7

About 3-bromo-1,1-difluorononane

3-bromo-1,1-difluorononane (PubChem CID 24977728) has the molecular formula C9H17BrF2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-bromo-1,1-difluorononane.

Molecular Properties

Compound Name3-bromo-1,1-difluorononane
PubChem CID24977728
Molecular FormulaC9H17BrF2
Molecular Weight243.13 g/mol
Exact Mass242.05
IUPAC Name3-bromo-1,1-difluorononane
SMILESCCCCCCC(Br)CC(F)F
InChIInChI=1S/C9H17BrF2/c1-2-3-4-5-6-8(10)7-9(11)12/h8-9H,2-7H2,1H3
InChIKeyAKKPYLDUESBDRJ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.38
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'}

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Related Compounds

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2-bromo-1-fluoroheptane
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1,3-dibromoundecane
CID 122583600
1,3-dibromododecane
CID 122583611
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CID 172853004
1,3-dibromopentadecane
CID 122583568
8-[(2S)-4,4-difluorobutan-2-yl]pentadecane
CID 154930347
3-bromoundecan-1-ol
CID 162349376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1-difluorononane?
The IUPAC name of 3-bromo-1,1-difluorononane (CID 24977728) is 3-bromo-1,1-difluorononane.
What is the SMILES notation for 3-bromo-1,1-difluorononane?
The canonical SMILES for 3-bromo-1,1-difluorononane is CCCCCCC(Br)CC(F)F.
What is the InChIKey of 3-bromo-1,1-difluorononane?
The InChIKey is AKKPYLDUESBDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrF2/c1-2-3-4-5-6-8(10)7-9(11)12/h8-9H,2-7H2,1H3.
What are the key properties of 3-bromo-1,1-difluorononane?
3-bromo-1,1-difluorononane has a molecular weight of 243.13 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1-difluorononane is sourced from PubChem (CID 24977728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).