4-(4-ethynylphenoxy)-1,2-difluorobenzene

C14H8F2O — CID 138985519

IUPAC4-(4-ethynylphenoxy)-1,2-difluorobenzene
SMILESC#Cc1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H8F2O/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h1,3-9H
InChIKeyKXSIMALYEVDKBW-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.74
Rot. Bonds2

About 4-(4-ethynylphenoxy)-1,2-difluorobenzene

4-(4-ethynylphenoxy)-1,2-difluorobenzene (PubChem CID 138985519) has the molecular formula C14H8F2O and a molecular weight of 230.21 g/mol. Its IUPAC name is 4-(4-ethynylphenoxy)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(4-ethynylphenoxy)-1,2-difluorobenzene
PubChem CID138985519
Molecular FormulaC14H8F2O
Molecular Weight230.21 g/mol
Exact Mass230.05
IUPAC Name4-(4-ethynylphenoxy)-1,2-difluorobenzene
SMILESC#Cc1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H8F2O/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h1,3-9H
InChIKeyKXSIMALYEVDKBW-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethynylphenoxy)aniline
CID 19809286
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
4-but-3-ynoxy-1,2-difluorobenzene
CID 63656648
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
1-ethynyl-3-[4-[4-[4-[4-[4-[3-[4-[4-(4-ethynylphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521209
1-fluoro-4-phenoxy-2-prop-2-ynylbenzene
CID 57201651
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
methyl 3-(4-ethynylphenoxy)benzoate
CID 154815146
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
1-tert-butyl-3-ethynylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-(3-tert-butylphenoxy)benzonitrile
CID 158890881

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenoxy)-1,2-difluorobenzene?
The IUPAC name of 4-(4-ethynylphenoxy)-1,2-difluorobenzene (CID 138985519) is 4-(4-ethynylphenoxy)-1,2-difluorobenzene.
What is the SMILES notation for 4-(4-ethynylphenoxy)-1,2-difluorobenzene?
The canonical SMILES for 4-(4-ethynylphenoxy)-1,2-difluorobenzene is C#Cc1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(4-ethynylphenoxy)-1,2-difluorobenzene?
The InChIKey is KXSIMALYEVDKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h1,3-9H.
What are the key properties of 4-(4-ethynylphenoxy)-1,2-difluorobenzene?
4-(4-ethynylphenoxy)-1,2-difluorobenzene has a molecular weight of 230.21 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenoxy)-1,2-difluorobenzene is sourced from PubChem (CID 138985519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).