1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene

C19H18F4 — CID 143091545

IUPAC1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene
SMILESCc1ccc(C2CCC(c3cc(F)c(F)c(F)c3)C(F)C2)cc1
InChIInChI=1S/C19H18F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h2-5,9-10,13,15-16H,6-8H2,1H3
InChIKeyGETKQPDJBQMNDO-UHFFFAOYSA-N
MW322.35 g/mol
LogP5.80
Rot. Bonds2

About 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene

1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene (PubChem CID 143091545) has the molecular formula C19H18F4 and a molecular weight of 322.35 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene
PubChem CID143091545
Molecular FormulaC19H18F4
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene
SMILESCc1ccc(C2CCC(c3cc(F)c(F)c(F)c3)C(F)C2)cc1
InChIInChI=1S/C19H18F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h2-5,9-10,13,15-16H,6-8H2,1H3
InChIKeyGETKQPDJBQMNDO-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.35
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-fluoro-4-(4-methylphenyl)cyclohexyl]phenyl]-4-methylcycloheptane
CID 167263673
1,2,3-trifluoro-5-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 163858188
1,2,3-trifluoro-6-[4-(4-methylphenyl)cyclohexyl]naphthalene
CID 139846546
1,2,3-trifluoro-5-[2-[4-(2-fluoro-4-methylcyclohexyl)phenyl]ethynyl]benzene
CID 162303349
1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene
CID 144809436
1-[(4S)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 137384106
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene (CID 143091545) is 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene is Cc1ccc(C2CCC(c3cc(F)c(F)c(F)c3)C(F)C2)cc1.
What is the InChIKey of 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene?
The InChIKey is GETKQPDJBQMNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h2-5,9-10,13,15-16H,6-8H2,1H3.
What are the key properties of 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene?
1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene has a molecular weight of 322.35 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 143091545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).