1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene

C20H19F5 — CID 118593478

IUPAC1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
SMILESCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2F)CC1
InChIInChI=1S/C20H19F5/c1-2-11-3-5-12(6-4-11)14-7-8-15(19(24)18(14)23)13-9-16(21)20(25)17(22)10-13/h7-12H,2-6H2,1H3
InChIKeyIWUYHPDARUXSCD-UHFFFAOYSA-N
MW354.36 g/mol
LogP6.73
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene

1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene (PubChem CID 118593478) has the molecular formula C20H19F5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
PubChem CID118593478
Molecular FormulaC20H19F5
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
SMILESCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2F)CC1
InChIInChI=1S/C20H19F5/c1-2-11-3-5-12(6-4-11)14-7-8-15(19(24)18(14)23)13-9-16(21)20(25)17(22)10-13/h7-12H,2-6H2,1H3
InChIKeyIWUYHPDARUXSCD-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 56.73
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

2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
6-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,8-tetrafluoronaphthalene
CID 118593563
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890
1-[4-[2,3-difluoro-4-[(Z)-prop-1-enoxy]phenyl]phenyl]-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
CID 67730976
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2,3-difluoro-1-(4-propylcyclohex-3-en-1-yl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593532
2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
CID 118595774
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
1-(4-butylcyclohexyl)-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 141107099
2-[4-[4-[2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963675

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene (CID 118593478) is 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene is CCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2F)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene?
The InChIKey is IWUYHPDARUXSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5/c1-2-11-3-5-12(6-4-11)14-7-8-15(19(24)18(14)23)13-9-16(21)20(25)17(22)10-13/h7-12H,2-6H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene?
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene has a molecular weight of 354.36 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene is sourced from PubChem (CID 118593478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).