1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene

C15H9F3O — CID 155883074

IUPAC1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESC#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3O/c1-2-11-5-3-4-6-14(11)19-13-9-7-12(8-10-13)15(16,17)18/h1,3-10H
InChIKeyMFXAJOQVZYSIOY-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.48
Rot. Bonds2

About 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene

1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 155883074) has the molecular formula C15H9F3O and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID155883074
Molecular FormulaC15H9F3O
Molecular Weight262.23 g/mol
Exact Mass262.06
IUPAC Name1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESC#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3O/c1-2-11-5-3-4-6-14(11)19-13-9-7-12(8-10-13)15(16,17)18/h1,3-10H
InChIKeyMFXAJOQVZYSIOY-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.48
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

1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 87588000
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
1-ethynyl-2-(3-methoxyphenoxy)benzene
CID 173156561
4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
CID 135373744
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
CID 177468045
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 21322376
5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 121305761

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene (CID 155883074) is 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene is C#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is MFXAJOQVZYSIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O/c1-2-11-5-3-4-6-14(11)19-13-9-7-12(8-10-13)15(16,17)18/h1,3-10H.
What are the key properties of 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene?
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 262.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 155883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).