5-(3-bromoprop-1-enyl)-2,3-difluorophenol

C9H7BrF2O — CID 169475415

IUPAC5-(3-bromoprop-1-enyl)-2,3-difluorophenol
SMILESOc1cc(C=CCBr)cc(F)c1F
InChIInChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)9(12)8(13)5-6/h1-2,4-5,13H,3H2
InChIKeyNMKIARFZKBCRLQ-UHFFFAOYSA-N
MW249.05 g/mol
LogP3.08
Rot. Bonds2

About 5-(3-bromoprop-1-enyl)-2,3-difluorophenol

5-(3-bromoprop-1-enyl)-2,3-difluorophenol (PubChem CID 169475415) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-2,3-difluorophenol.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-2,3-difluorophenol
PubChem CID169475415
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name5-(3-bromoprop-1-enyl)-2,3-difluorophenol
SMILESOc1cc(C=CCBr)cc(F)c1F
InChIInChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)9(12)8(13)5-6/h1-2,4-5,13H,3H2
InChIKeyNMKIARFZKBCRLQ-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 53.08
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

2,3-difluoro-5-(3-sulfanylprop-1-enyl)phenol
CID 169455083
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
4-(3,4,5-trifluorophenyl)but-3-enoic acid
CID 170483384
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-2,3-difluorophenol?
The IUPAC name of 5-(3-bromoprop-1-enyl)-2,3-difluorophenol (CID 169475415) is 5-(3-bromoprop-1-enyl)-2,3-difluorophenol.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-2,3-difluorophenol?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-2,3-difluorophenol is Oc1cc(C=CCBr)cc(F)c1F.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-2,3-difluorophenol?
The InChIKey is NMKIARFZKBCRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)9(12)8(13)5-6/h1-2,4-5,13H,3H2.
What are the key properties of 5-(3-bromoprop-1-enyl)-2,3-difluorophenol?
5-(3-bromoprop-1-enyl)-2,3-difluorophenol has a molecular weight of 249.05 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-2,3-difluorophenol is sourced from PubChem (CID 169475415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).