1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene

C14H10F4O — CID 60627887

IUPAC1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F4O/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2
InChIKeyBDKPAYPTVYFAKV-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.42
Rot. Bonds3

About 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene

1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 60627887) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID60627887
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F4O/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2
InChIKeyBDKPAYPTVYFAKV-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
ethane;5-methyl-2H-tetrazole;1-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 143095246
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 60627887) is 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene is Fc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is BDKPAYPTVYFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 270.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 60627887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).