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

C14H9ClF4O — CID 25235984

IUPAC2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C14H9ClF4O/c15-12-7-11(16)4-5-13(12)20-8-9-2-1-3-10(6-9)14(17,18)19/h1-7H,8H2
InChIKeyPJOZIWLRSJNRMI-UHFFFAOYSA-N
MW304.67 g/mol
LogP5.08
Rot. Bonds3

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

2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 25235984) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID25235984
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C14H9ClF4O/c15-12-7-11(16)4-5-13(12)20-8-9-2-1-3-10(6-9)14(17,18)19/h1-7H,8H2
InChIKeyPJOZIWLRSJNRMI-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.67
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 25235984) is 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is Fc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is PJOZIWLRSJNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-12-7-11(16)4-5-13(12)20-8-9-2-1-3-10(6-9)14(17,18)19/h1-7H,8H2.
What are the key properties of 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 304.67 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 25235984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).