2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene

C14H12F4O — CID 71161433

IUPAC2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene
SMILESCC1=CC=CC(Oc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C14H12F4O/c1-9-4-2-5-10(8-9)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-7,10H,8H2,1H3
InChIKeyPJDQUXNSFCJEQU-UHFFFAOYSA-N
MW272.24 g/mol
LogP4.50
Rot. Bonds2

About 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene

2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene (PubChem CID 71161433) has the molecular formula C14H12F4O and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene
PubChem CID71161433
Molecular FormulaC14H12F4O
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Name2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene
SMILESCC1=CC=CC(Oc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C14H12F4O/c1-9-4-2-5-10(8-9)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-7,10H,8H2,1H3
InChIKeyPJDQUXNSFCJEQU-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene (CID 71161433) is 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene is CC1=CC=CC(Oc2cccc(C(F)(F)F)c2F)C1.
What is the InChIKey of 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene?
The InChIKey is PJDQUXNSFCJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4O/c1-9-4-2-5-10(8-9)19-12-7-3-6-11(13(12)15)14(16,17)18/h2-7,10H,8H2,1H3.
What are the key properties of 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene?
2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene has a molecular weight of 272.24 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 71161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).