1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol

C11H10F2O2 — CID 115840010

IUPAC1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
SMILESC#CCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2O2/c1-2-4-10(14)8-5-3-6-9(7-8)15-11(12)13/h1,3,5-7,10-11,14H,4H2
InChIKeyBVBSUYNARHUBLE-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.34
Rot. Bonds4

About 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol

1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol (PubChem CID 115840010) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
PubChem CID115840010
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
SMILESC#CCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2O2/c1-2-4-10(14)8-5-3-6-9(7-8)15-11(12)13/h1,3,5-7,10-11,14H,4H2
InChIKeyBVBSUYNARHUBLE-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
CID 107012185
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol (CID 115840010) is 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol is C#CCC(O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol?
The InChIKey is BVBSUYNARHUBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-4-10(14)8-5-3-6-9(7-8)15-11(12)13/h1,3,5-7,10-11,14H,4H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol?
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol has a molecular weight of 212.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 115840010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).