1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane

C18H30F2 — CID 19842745

IUPAC1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h5,14-17H,2-4,6-13H2,1H3
InChIKeyUQXFDBLCZDGYDF-UHFFFAOYSA-N
MW284.43 g/mol
LogP6.57
Rot. Bonds5

About 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane

1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane (PubChem CID 19842745) has the molecular formula C18H30F2 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane
PubChem CID19842745
Molecular FormulaC18H30F2
Molecular Weight284.43 g/mol
Exact Mass284.23
IUPAC Name1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane
SMILESCCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1
InChIInChI=1S/C18H30F2/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h5,14-17H,2-4,6-13H2,1H3
InChIKeyUQXFDBLCZDGYDF-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.43
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane (CID 19842745) is 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane is CCC1CCC(C2CCC(CCC=C(F)F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
The InChIKey is UQXFDBLCZDGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(19)20/h5,14-17H,2-4,6-13H2,1H3.
What are the key properties of 1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane?
1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)cyclohexane has a molecular weight of 284.43 g/mol, XLogP of 6.57, 5 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)cyclohexane is sourced from PubChem (CID 19842745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).