2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene

C20H18F4 — CID 15376160

IUPAC2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
SMILESC=CC1CCC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H18F4/c1-2-12-3-5-13(6-4-12)15-10-18(23)20(19(24)11-15)14-7-8-16(21)17(22)9-14/h2,7-13H,1,3-6H2
InChIKeyCDTZRDJCZQWDKI-UHFFFAOYSA-N
MW334.36 g/mol
LogP6.37
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene

2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene (PubChem CID 15376160) has the molecular formula C20H18F4 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
PubChem CID15376160
Molecular FormulaC20H18F4
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
SMILESC=CC1CCC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H18F4/c1-2-12-3-5-13(6-4-12)15-10-18(23)20(19(24)11-15)14-7-8-16(21)17(22)9-14/h2,7-13H,1,3-6H2
InChIKeyCDTZRDJCZQWDKI-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]cyclohexane-1-thiol
CID 130256822
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
CID 163495624
2-[4-(4-chloro-3,5-difluorophenyl)-3,5-difluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868293
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
2-[4-(4-ethenylcyclohexyl)phenyl]-1,3-difluoro-5-isothiocyanatobenzene
CID 163272857
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
(4aR,6R,8aR)-2-(3,4-difluorophenyl)-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809609
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
2-[difluoro-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
CID 59327945
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
5-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 15509288

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene (CID 15376160) is 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene is C=CC1CCC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene?
The InChIKey is CDTZRDJCZQWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4/c1-2-12-3-5-13(6-4-12)15-10-18(23)20(19(24)11-15)14-7-8-16(21)17(22)9-14/h2,7-13H,1,3-6H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene?
2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene has a molecular weight of 334.36 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene is sourced from PubChem (CID 15376160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).