1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene

C37H50F4 — CID 163696676

IUPAC1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
SMILESCCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1.CCCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1
InChIInChI=1S/C19H26F2.C18H24F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21;1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3;5,8-9,12-14,16H,2-4,6-7,10-11H2,1H3
InChIKeyJXOAKQYGJAQALA-UHFFFAOYSA-N
MW570.80 g/mol
LogP12.56
Rot. Bonds11

About 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene

1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene (PubChem CID 163696676) has the molecular formula C37H50F4 and a molecular weight of 570.80 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
PubChem CID163696676
Molecular FormulaC37H50F4
Molecular Weight570.80 g/mol
Exact Mass570.38
IUPAC Name1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
SMILESCCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1.CCCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1
InChIInChI=1S/C19H26F2.C18H24F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21;1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3;5,8-9,12-14,16H,2-4,6-7,10-11H2,1H3
InChIKeyJXOAKQYGJAQALA-UHFFFAOYSA-N
XLogP12.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene with MolForge

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Related Compounds

2-[4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599515
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
4-[4-(4,4-difluorobut-3-enyl)phenyl]cyclohexan-1-one
CID 20599818
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
2-fluoro-5-[4-[4-[4-(4-propylphenyl)cyclohexyl]butyl]cyclohexyl]pent-2-enenitrile
CID 54539025

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene (CID 163696676) is 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene is CCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1.CCCC1CCC(c2ccc(CCC=C(F)F)cc2)CC1.
What is the InChIKey of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene?
The InChIKey is JXOAKQYGJAQALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2.C18H24F2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21;1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h6,9-10,13-15,17H,2-5,7-8,11-12H2,1H3;5,8-9,12-14,16H,2-4,6-7,10-11H2,1H3.
What are the key properties of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene?
1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene has a molecular weight of 570.80 g/mol, XLogP of 12.56, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 163696676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).