1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol

C10H9BrF2O — CID 15807454

IUPAC1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2
InChIKeyCSRGFRGPUSJYEB-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol

1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol (PubChem CID 15807454) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
PubChem CID15807454
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2
InChIKeyCSRGFRGPUSJYEB-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol (CID 15807454) is 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol is C=CC(F)(F)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol?
The InChIKey is CSRGFRGPUSJYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c1-2-10(12,13)9(14)7-3-5-8(11)6-4-7/h2-6,9,14H,1H2.
What are the key properties of 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol?
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol has a molecular weight of 263.08 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol is sourced from PubChem (CID 15807454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).