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

C14H9ClF4O — CID 91658261

IUPAC2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESFc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF4O/c15-12-7-10(14(17,18)19)3-6-13(12)20-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyJDKKIQFXHGKKCB-UHFFFAOYSA-N
MW304.67 g/mol
LogP5.08
Rot. Bonds3

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

2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene (PubChem CID 91658261) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
PubChem CID91658261
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESFc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9ClF4O/c15-12-7-10(14(17,18)19)3-6-13(12)20-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyJDKKIQFXHGKKCB-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

2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
CID 88897804
CID 88897804
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]borane
CID 91869279
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene (CID 91658261) is 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene is Fc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene?
The InChIKey is JDKKIQFXHGKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-12-7-10(14(17,18)19)3-6-13(12)20-8-9-1-4-11(16)5-2-9/h1-7H,8H2.
What are the key properties of 2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene?
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)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-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91658261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).