4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene

C20H14F4O — CID 141169657

IUPAC4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
SMILESFc1cccc(COc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F4O/c21-16-8-4-5-14(11-16)13-25-17-9-10-18(15-6-2-1-3-7-15)19(12-17)20(22,23)24/h1-12H,13H2
InChIKeySPCJIMIQUHDUOQ-UHFFFAOYSA-N
MW346.32 g/mol
LogP6.09
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene

4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene (PubChem CID 141169657) has the molecular formula C20H14F4O and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
PubChem CID141169657
Molecular FormulaC20H14F4O
Molecular Weight346.32 g/mol
Exact Mass346.10
IUPAC Name4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
SMILESFc1cccc(COc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F4O/c21-16-8-4-5-14(11-16)13-25-17-9-10-18(15-6-2-1-3-7-15)19(12-17)20(22,23)24/h1-12H,13H2
InChIKeySPCJIMIQUHDUOQ-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.32
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220300
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene (CID 141169657) is 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene is Fc1cccc(COc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene?
The InChIKey is SPCJIMIQUHDUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O/c21-16-8-4-5-14(11-16)13-25-17-9-10-18(15-6-2-1-3-7-15)19(12-17)20(22,23)24/h1-12H,13H2.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene?
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene has a molecular weight of 346.32 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141169657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).