1-phenyl-2-(2,2,2-trifluoroethoxy)benzene

C14H11F3O — CID 86122224

IUPAC1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1-c1ccccc1
InChIInChI=1S/C14H11F3O/c15-14(16,17)10-18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyFFILANKSOXRMTB-UHFFFAOYSA-N
MW252.24 g/mol
LogP4.29
Rot. Bonds3

About 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene

1-phenyl-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 86122224) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID86122224
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1-c1ccccc1
InChIInChI=1S/C14H11F3O/c15-14(16,17)10-18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyFFILANKSOXRMTB-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
CID 173255232
(2-phenylphenyl) bis(2,2,2-trifluoroethyl) phosphate
CID 162575664
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 141118952
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2-(2-phenylphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 46423310

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene (CID 86122224) is 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is FFILANKSOXRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c15-14(16,17)10-18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene?
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 252.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 86122224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).