4-(4-bromobut-1-enyl)-3,5-difluorophenol

C10H9BrF2O — CID 170497383

IUPAC4-(4-bromobut-1-enyl)-3,5-difluorophenol
SMILESOc1cc(F)c(C=CCCBr)c(F)c1
InChIInChI=1S/C10H9BrF2O/c11-4-2-1-3-8-9(12)5-7(14)6-10(8)13/h1,3,5-6,14H,2,4H2
InChIKeyNYVFLKSHPSNTAI-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-bromobut-1-enyl)-3,5-difluorophenol

4-(4-bromobut-1-enyl)-3,5-difluorophenol (PubChem CID 170497383) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 4-(4-bromobut-1-enyl)-3,5-difluorophenol.

Molecular Properties

Compound Name4-(4-bromobut-1-enyl)-3,5-difluorophenol
PubChem CID170497383
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name4-(4-bromobut-1-enyl)-3,5-difluorophenol
SMILESOc1cc(F)c(C=CCCBr)c(F)c1
InChIInChI=1S/C10H9BrF2O/c11-4-2-1-3-8-9(12)5-7(14)6-10(8)13/h1,3,5-6,14H,2,4H2
InChIKeyNYVFLKSHPSNTAI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
3-(2,6-difluoro-4-hydroxyphenyl)prop-2-enal
CID 169459023
4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
4-(4-bromobut-1-enyl)-5-chloro-2-fluoroaniline
CID 170497500
(E)-6-(2,4,6-trifluorophenyl)hex-5-enal
CID 87065924
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
3-(2,6-difluoro-4-hydroxyphenyl)prop-2-enoic acid
CID 169460440
4-(4-aminobut-1-enyl)-3,5-difluoroaniline
CID 170487004
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol
CID 170498109

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobut-1-enyl)-3,5-difluorophenol?
The IUPAC name of 4-(4-bromobut-1-enyl)-3,5-difluorophenol (CID 170497383) is 4-(4-bromobut-1-enyl)-3,5-difluorophenol.
What is the SMILES notation for 4-(4-bromobut-1-enyl)-3,5-difluorophenol?
The canonical SMILES for 4-(4-bromobut-1-enyl)-3,5-difluorophenol is Oc1cc(F)c(C=CCCBr)c(F)c1.
What is the InChIKey of 4-(4-bromobut-1-enyl)-3,5-difluorophenol?
The InChIKey is NYVFLKSHPSNTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c11-4-2-1-3-8-9(12)5-7(14)6-10(8)13/h1,3,5-6,14H,2,4H2.
What are the key properties of 4-(4-bromobut-1-enyl)-3,5-difluorophenol?
4-(4-bromobut-1-enyl)-3,5-difluorophenol has a molecular weight of 263.08 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobut-1-enyl)-3,5-difluorophenol is sourced from PubChem (CID 170497383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).