5-bromo-2-(3-fluoropropoxy)benzaldehyde

C10H10BrFO2 — CID 81106104

IUPAC5-bromo-2-(3-fluoropropoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCCF
InChIInChI=1S/C10H10BrFO2/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h2-3,6-7H,1,4-5H2
InChIKeyCAGSTWQGYUINGF-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-2-(3-fluoropropoxy)benzaldehyde

5-bromo-2-(3-fluoropropoxy)benzaldehyde (PubChem CID 81106104) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(3-fluoropropoxy)benzaldehyde
PubChem CID81106104
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name5-bromo-2-(3-fluoropropoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCCF
InChIInChI=1S/C10H10BrFO2/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h2-3,6-7H,1,4-5H2
InChIKeyCAGSTWQGYUINGF-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
CID 104952350
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
5-bromo-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60892649
2-(4-bromo-2-formylphenoxy)acetonitrile
CID 3679753
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
5-bromo-2-pent-3-ynoxybenzaldehyde
CID 104744018
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
5-bromo-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222273
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoropropoxy)benzaldehyde?
The IUPAC name of 5-bromo-2-(3-fluoropropoxy)benzaldehyde (CID 81106104) is 5-bromo-2-(3-fluoropropoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(3-fluoropropoxy)benzaldehyde?
The canonical SMILES for 5-bromo-2-(3-fluoropropoxy)benzaldehyde is O=Cc1cc(Br)ccc1OCCCF.
What is the InChIKey of 5-bromo-2-(3-fluoropropoxy)benzaldehyde?
The InChIKey is CAGSTWQGYUINGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h2-3,6-7H,1,4-5H2.
What are the key properties of 5-bromo-2-(3-fluoropropoxy)benzaldehyde?
5-bromo-2-(3-fluoropropoxy)benzaldehyde has a molecular weight of 261.09 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoropropoxy)benzaldehyde is sourced from PubChem (CID 81106104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).