1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene

C17H14F6O2 — CID 2766200

IUPAC1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
SMILESFC(F)(F)c1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F6O2/c18-16(19,20)12-4-1-6-14(10-12)24-8-3-9-25-15-7-2-5-13(11-15)17(21,22)23/h1-2,4-7,10-11H,3,8-9H2
InChIKeyJAULKNWNVDEGCA-UHFFFAOYSA-N
MW364.29 g/mol
LogP5.57
Rot. Bonds6

About 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene (PubChem CID 2766200) has the molecular formula C17H14F6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
PubChem CID2766200
Molecular FormulaC17H14F6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC Name1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
SMILESFC(F)(F)c1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H14F6O2/c18-16(19,20)12-4-1-6-14(10-12)24-8-3-9-25-15-7-2-5-13(11-15)17(21,22)23/h1-2,4-7,10-11H,3,8-9H2
InChIKeyJAULKNWNVDEGCA-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.29
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-(3-propan-2-ylsulfanylpropoxy)-3-(trifluoromethyl)benzene
CID 71429774
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene?
The IUPAC name of 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene (CID 2766200) is 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene?
The canonical SMILES for 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene is FC(F)(F)c1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene?
The InChIKey is JAULKNWNVDEGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6O2/c18-16(19,20)12-4-1-6-14(10-12)24-8-3-9-25-15-7-2-5-13(11-15)17(21,22)23/h1-2,4-7,10-11H,3,8-9H2.
What are the key properties of 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene?
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene has a molecular weight of 364.29 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene is sourced from PubChem (CID 2766200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).