2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene

C19H22F4O — CID 54524925

IUPAC2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene
SMILESCC(C)=CC=CC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C19H22F4O/c1-13(2)4-3-5-14-6-8-15(9-7-14)16-10-11-18(17(20)12-16)24-19(21,22)23/h3-5,10-12,14-15H,6-9H2,1-2H3
InChIKeyYSLVDJAJNSIDEL-UHFFFAOYSA-N
MW342.38 g/mol
LogP6.52
Rot. Bonds4

About 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene

2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene (PubChem CID 54524925) has the molecular formula C19H22F4O and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene
PubChem CID54524925
Molecular FormulaC19H22F4O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene
SMILESCC(C)=CC=CC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C19H22F4O/c1-13(2)4-3-5-14-6-8-15(9-7-14)16-10-11-18(17(20)12-16)24-19(21,22)23/h3-5,10-12,14-15H,6-9H2,1-2H3
InChIKeyYSLVDJAJNSIDEL-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.38
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-fluoro-4-[4-[4-[(E)-2-(4-prop-1-enylphenyl)ethenyl]cyclohexyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 59955037
2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 19695594
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139629446
4-[4-[4-(2-chloroethenyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 54283723
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 139629293
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870233
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
2-fluoro-4-[4-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 22915757
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
2-fluoro-4-[4-(4-hexa-3,5-dienylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)benzene
CID 54105298

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene (CID 54524925) is 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene is CC(C)=CC=CC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene?
The InChIKey is YSLVDJAJNSIDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4O/c1-13(2)4-3-5-14-6-8-15(9-7-14)16-10-11-18(17(20)12-16)24-19(21,22)23/h3-5,10-12,14-15H,6-9H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene?
2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene has a molecular weight of 342.38 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 54524925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).