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

C13H8F4O — CID 165487058

IUPAC1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
SMILESCOc1cc(F)cc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H8F4O/c1-18-9-5-7(4-8(14)6-9)10-2-3-11(15)13(17)12(10)16/h2-6H,1H3
InChIKeyRJQBNYGHRVLEAT-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.92
Rot. Bonds2

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

1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene (PubChem CID 165487058) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
PubChem CID165487058
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
SMILESCOc1cc(F)cc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C13H8F4O/c1-18-9-5-7(4-8(14)6-9)10-2-3-11(15)13(17)12(10)16/h2-6H,1H3
InChIKeyRJQBNYGHRVLEAT-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.92
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-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
CID 118809599
3-(2,5-difluorophenyl)-5-methoxyaniline
CID 156592012
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole
CID 174803802
CID 58361867
CID 58361867
3-(3-fluoro-5-methoxyphenyl)cyclopent-2-en-1-one
CID 131166122
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene?
The IUPAC name of 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene (CID 165487058) is 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene.
What is the SMILES notation for 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene?
The canonical SMILES for 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene is COc1cc(F)cc(-c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene?
The InChIKey is RJQBNYGHRVLEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c1-18-9-5-7(4-8(14)6-9)10-2-3-11(15)13(17)12(10)16/h2-6H,1H3.
What are the key properties of 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene?
1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene has a molecular weight of 256.20 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene is sourced from PubChem (CID 165487058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).