1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene

C14H10F4O — CID 91656323

IUPAC1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFc1cccc(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10F4O/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18/h1-8H,9H2
InChIKeyCGGDWCCMJQYMQB-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.42
Rot. Bonds3

About 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene

1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 91656323) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID91656323
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFc1cccc(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10F4O/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18/h1-8H,9H2
InChIKeyCGGDWCCMJQYMQB-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-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene (CID 91656323) is 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene is Fc1cccc(COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is CGGDWCCMJQYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]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-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 91656323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).