1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene

C15H12F4O — CID 177076510

IUPAC1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C15H12F4O/c1-8(2)11-4-3-9(5-12(11)16)20-10-6-13(17)15(19)14(18)7-10/h3-8H,1-2H3
InChIKeyBRMNUWXOHQEDLS-UHFFFAOYSA-N
MW284.25 g/mol
LogP5.16
Rot. Bonds3

About 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene

1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene (PubChem CID 177076510) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene
PubChem CID177076510
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C15H12F4O/c1-8(2)11-4-3-9(5-12(11)16)20-10-6-13(17)15(19)14(18)7-10/h3-8H,1-2H3
InChIKeyBRMNUWXOHQEDLS-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.25
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-(3-methoxy-4-propan-2-ylphenoxy)benzene
CID 177076526
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
CID 176946353
N-(3,3-difluorocyclobutyl)-4-(3-fluoro-4-propan-2-ylphenoxy)-N-methylpyridin-2-amine
CID 174271631
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
CID 83381571
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene (CID 177076510) is 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene is CC(C)c1ccc(Oc2cc(F)c(F)c(F)c2)cc1F.
What is the InChIKey of 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene?
The InChIKey is BRMNUWXOHQEDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-8(2)11-4-3-9(5-12(11)16)20-10-6-13(17)15(19)14(18)7-10/h3-8H,1-2H3.
What are the key properties of 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene?
1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene has a molecular weight of 284.25 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 177076510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).