2-bromo-1-fluoroheptane

C7H14BrF — CID 14433707

IUPAC2-bromo-1-fluoroheptane
SMILESCCCCCC(Br)CF
InChIInChI=1S/C7H14BrF/c1-2-3-4-5-7(8)6-9/h7H,2-6H2,1H3
InChIKeyNFWVAXRPHHCLHN-UHFFFAOYSA-N
MW197.09 g/mol
LogP3.30
Rot. Bonds5

About 2-bromo-1-fluoroheptane

2-bromo-1-fluoroheptane (PubChem CID 14433707) has the molecular formula C7H14BrF and a molecular weight of 197.09 g/mol. Its IUPAC name is 2-bromo-1-fluoroheptane.

Molecular Properties

Compound Name2-bromo-1-fluoroheptane
PubChem CID14433707
Molecular FormulaC7H14BrF
Molecular Weight197.09 g/mol
Exact Mass196.03
IUPAC Name2-bromo-1-fluoroheptane
SMILESCCCCCC(Br)CF
InChIInChI=1S/C7H14BrF/c1-2-3-4-5-7(8)6-9/h7H,2-6H2,1H3
InChIKeyNFWVAXRPHHCLHN-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 53.30
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

2-bromo-1-fluorododecane
CID 12938124
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,4-dibromononane
CID 123668754
1,1,3-tribromooctane
CID 10861079
3-bromo-1,1-difluorononane
CID 24977728
1,3-dibromododecane
CID 122583611
1,3-dibromoundecane
CID 122583600
3-bromooctadecane;methanamine
CID 172853004
1,6-dibromododecane
CID 18940788
1,3-dibromopentadecane
CID 122583568
3-bromoundecan-1-ol
CID 162349376

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoroheptane?
The IUPAC name of 2-bromo-1-fluoroheptane (CID 14433707) is 2-bromo-1-fluoroheptane.
What is the SMILES notation for 2-bromo-1-fluoroheptane?
The canonical SMILES for 2-bromo-1-fluoroheptane is CCCCCC(Br)CF.
What is the InChIKey of 2-bromo-1-fluoroheptane?
The InChIKey is NFWVAXRPHHCLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrF/c1-2-3-4-5-7(8)6-9/h7H,2-6H2,1H3.
What are the key properties of 2-bromo-1-fluoroheptane?
2-bromo-1-fluoroheptane has a molecular weight of 197.09 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoroheptane is sourced from PubChem (CID 14433707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).