1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene

C14H11F3O2 — CID 11173203

IUPAC1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2/c1-18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)19-14(15,16)17/h2-9H,1H3
InChIKeyJNCKNTOSZFOACM-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.26
Rot. Bonds3

About 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene

1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 11173203) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID11173203
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2/c1-18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)19-14(15,16)17/h2-9H,1H3
InChIKeyJNCKNTOSZFOACM-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene (CID 11173203) is 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene is COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is JNCKNTOSZFOACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)19-14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene?
1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 268.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 11173203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).