5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol

C11H10BrFO — CID 106646257

IUPAC5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol
SMILESOCCCC#Cc1cccc(Br)c1F
InChIInChI=1S/C11H10BrFO/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h4,6-7,14H,1,3,8H2
InChIKeyUVQFFUSVTVUOLR-UHFFFAOYSA-N
MW257.10 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol

5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol (PubChem CID 106646257) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol
PubChem CID106646257
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol
SMILESOCCCC#Cc1cccc(Br)c1F
InChIInChI=1S/C11H10BrFO/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h4,6-7,14H,1,3,8H2
InChIKeyUVQFFUSVTVUOLR-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(5-amino-2-bromophenyl)pent-4-yn-1-ol
CID 166478135
1-bromo-2,3-difluoro-4-hept-1-ynylbenzene
CID 155368137
1-bromo-2-fluoro-3-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 165451940
3-[12-(2-fluorophenyl)dodec-11-ynoxy]propan-1-ol
CID 162744256
3-(4-bromobut-1-ynyl)-2-fluorobenzaldehyde
CID 170465978
4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol
CID 11805111
5-(2-chloro-4,5-difluorophenyl)pent-4-yn-1-ol
CID 107476752
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
4-(5-bromo-2-fluorophenyl)but-3-yn-1-ol
CID 79742605
2-fluoro-3-(3-sulfanylprop-1-ynyl)phenol
CID 169486139
6-(3-bromo-2,6-difluorophenyl)hex-5-yn-1-amine
CID 106208884
9-(3-bromothiophen-2-yl)non-8-yn-1-ol
CID 101116017

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol (CID 106646257) is 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol is OCCCC#Cc1cccc(Br)c1F.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol?
The InChIKey is UVQFFUSVTVUOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO/c12-10-7-4-6-9(11(10)13)5-2-1-3-8-14/h4,6-7,14H,1,3,8H2.
What are the key properties of 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol?
5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol has a molecular weight of 257.10 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)pent-4-yn-1-ol is sourced from PubChem (CID 106646257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).