4-but-3-ynoxy-1,2-difluorobenzene

C10H8F2O — CID 63656648

IUPAC4-but-3-ynoxy-1,2-difluorobenzene
SMILESC#CCCOc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O/c1-2-3-6-13-8-4-5-9(11)10(12)7-8/h1,4-5,7H,3,6H2
InChIKeyDIHZPEOJKZJVJP-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.37
Rot. Bonds3

About 4-but-3-ynoxy-1,2-difluorobenzene

4-but-3-ynoxy-1,2-difluorobenzene (PubChem CID 63656648) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-but-3-ynoxy-1,2-difluorobenzene.

Molecular Properties

Compound Name4-but-3-ynoxy-1,2-difluorobenzene
PubChem CID63656648
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name4-but-3-ynoxy-1,2-difluorobenzene
SMILESC#CCCOc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O/c1-2-3-6-13-8-4-5-9(11)10(12)7-8/h1,4-5,7H,3,6H2
InChIKeyDIHZPEOJKZJVJP-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
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

1,2-difluoro-4-(2-prop-2-ynylsulfonylethoxy)benzene
CID 82369151
4-but-3-ynoxyphenol
CID 43143414
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
1-chloro-4-pent-4-ynoxybenzene
CID 15045663
4-(4-ethynylphenoxy)-1,2-difluorobenzene
CID 138985519
1-[2-(3,4-difluorophenoxy)ethyl]-1-methylhydrazine
CID 82282452
2-tert-butyl-5-but-3-ynoxyphenol
CID 54288399
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-2-fluorobenzonitrile
CID 166417057
2-but-3-ynoxy-1-fluoro-4-nitrobenzene
CID 171423322
methyl 3-(3,4-difluorophenoxy)propanimidate
CID 95441850

Frequently Asked Questions

What is the IUPAC name of 4-but-3-ynoxy-1,2-difluorobenzene?
The IUPAC name of 4-but-3-ynoxy-1,2-difluorobenzene (CID 63656648) is 4-but-3-ynoxy-1,2-difluorobenzene.
What is the SMILES notation for 4-but-3-ynoxy-1,2-difluorobenzene?
The canonical SMILES for 4-but-3-ynoxy-1,2-difluorobenzene is C#CCCOc1ccc(F)c(F)c1.
What is the InChIKey of 4-but-3-ynoxy-1,2-difluorobenzene?
The InChIKey is DIHZPEOJKZJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-2-3-6-13-8-4-5-9(11)10(12)7-8/h1,4-5,7H,3,6H2.
What are the key properties of 4-but-3-ynoxy-1,2-difluorobenzene?
4-but-3-ynoxy-1,2-difluorobenzene has a molecular weight of 182.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynoxy-1,2-difluorobenzene is sourced from PubChem (CID 63656648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).