1-bromo-2-fluoro-4-prop-2-ynoxybenzene

C9H6BrFO — CID 65204026

IUPAC1-bromo-2-fluoro-4-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C9H6BrFO/c1-2-5-12-7-3-4-8(10)9(11)6-7/h1,3-4,6H,5H2
InChIKeyHOAKXHFXGZXIFR-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.60
Rot. Bonds2

About 1-bromo-2-fluoro-4-prop-2-ynoxybenzene

1-bromo-2-fluoro-4-prop-2-ynoxybenzene (PubChem CID 65204026) has the molecular formula C9H6BrFO and a molecular weight of 229.05 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-prop-2-ynoxybenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-prop-2-ynoxybenzene
PubChem CID65204026
Molecular FormulaC9H6BrFO
Molecular Weight229.05 g/mol
Exact Mass227.96
IUPAC Name1-bromo-2-fluoro-4-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C9H6BrFO/c1-2-5-12-7-3-4-8(10)9(11)6-7/h1,3-4,6H,5H2
InChIKeyHOAKXHFXGZXIFR-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
CID 125487739
1-fluoro-2-isothiocyanato-4-prop-2-ynoxybenzene
CID 125465297
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
1-bromo-2-fluoro-4-pent-3-ynoxybenzene
CID 104743936
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
2-[4-[2-(4-bromo-3-fluorophenoxy)ethoxy]phenyl]acetonitrile
CID 63998859
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-prop-2-ynoxybenzene?
The IUPAC name of 1-bromo-2-fluoro-4-prop-2-ynoxybenzene (CID 65204026) is 1-bromo-2-fluoro-4-prop-2-ynoxybenzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-prop-2-ynoxybenzene?
The canonical SMILES for 1-bromo-2-fluoro-4-prop-2-ynoxybenzene is C#CCOc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-2-fluoro-4-prop-2-ynoxybenzene?
The InChIKey is HOAKXHFXGZXIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO/c1-2-5-12-7-3-4-8(10)9(11)6-7/h1,3-4,6H,5H2.
What are the key properties of 1-bromo-2-fluoro-4-prop-2-ynoxybenzene?
1-bromo-2-fluoro-4-prop-2-ynoxybenzene has a molecular weight of 229.05 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-prop-2-ynoxybenzene is sourced from PubChem (CID 65204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).