3-bromo-2-(3-bromocycloheptyl)furan

C11H14Br2O — CID 64508976

IUPAC3-bromo-2-(3-bromocycloheptyl)furan
SMILESBrc1ccoc1C1CCCCC(Br)C1
InChIInChI=1S/C11H14Br2O/c12-9-4-2-1-3-8(7-9)11-10(13)5-6-14-11/h5-6,8-9H,1-4,7H2
InChIKeyBBHBQFJGBOJYGY-UHFFFAOYSA-N
MW322.04 g/mol
LogP4.85
Rot. Bonds1

About 3-bromo-2-(3-bromocycloheptyl)furan

3-bromo-2-(3-bromocycloheptyl)furan (PubChem CID 64508976) has the molecular formula C11H14Br2O and a molecular weight of 322.04 g/mol. Its IUPAC name is 3-bromo-2-(3-bromocycloheptyl)furan.

Molecular Properties

Compound Name3-bromo-2-(3-bromocycloheptyl)furan
PubChem CID64508976
Molecular FormulaC11H14Br2O
Molecular Weight322.04 g/mol
Exact Mass319.94
IUPAC Name3-bromo-2-(3-bromocycloheptyl)furan
SMILESBrc1ccoc1C1CCCCC(Br)C1
InChIInChI=1S/C11H14Br2O/c12-9-4-2-1-3-8(7-9)11-10(13)5-6-14-11/h5-6,8-9H,1-4,7H2
InChIKeyBBHBQFJGBOJYGY-UHFFFAOYSA-N
XLogP4.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromocycloheptyl)furan?
The IUPAC name of 3-bromo-2-(3-bromocycloheptyl)furan (CID 64508976) is 3-bromo-2-(3-bromocycloheptyl)furan.
What is the SMILES notation for 3-bromo-2-(3-bromocycloheptyl)furan?
The canonical SMILES for 3-bromo-2-(3-bromocycloheptyl)furan is Brc1ccoc1C1CCCCC(Br)C1.
What is the InChIKey of 3-bromo-2-(3-bromocycloheptyl)furan?
The InChIKey is BBHBQFJGBOJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O/c12-9-4-2-1-3-8(7-9)11-10(13)5-6-14-11/h5-6,8-9H,1-4,7H2.
What are the key properties of 3-bromo-2-(3-bromocycloheptyl)furan?
3-bromo-2-(3-bromocycloheptyl)furan has a molecular weight of 322.04 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromocycloheptyl)furan is sourced from PubChem (CID 64508976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).