[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane

C22H32F6O — CID 87940664

IUPAC[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane
SMILESC=C(OC(=C)C(C)(C1CCCCC1)C(F)(F)F)C(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C22H32F6O/c1-15(19(3,21(23,24)25)17-11-7-5-8-12-17)29-16(2)20(4,22(26,27)28)18-13-9-6-10-14-18/h17-18H,1-2,5-14H2,3-4H3
InChIKeyDNFJONZDTVXCAW-UHFFFAOYSA-N
MW426.49 g/mol
LogP8.33
Rot. Bonds6

About [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane

[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane (PubChem CID 87940664) has the molecular formula C22H32F6O and a molecular weight of 426.49 g/mol. Its IUPAC name is [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane
PubChem CID87940664
Molecular FormulaC22H32F6O
Molecular Weight426.49 g/mol
Exact Mass426.24
IUPAC Name[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane
SMILESC=C(OC(=C)C(C)(C1CCCCC1)C(F)(F)F)C(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C22H32F6O/c1-15(19(3,21(23,24)25)17-11-7-5-8-12-17)29-16(2)20(4,22(26,27)28)18-13-9-6-10-14-18/h17-18H,1-2,5-14H2,3-4H3
InChIKeyDNFJONZDTVXCAW-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane?
The IUPAC name of [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane (CID 87940664) is [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane.
What is the SMILES notation for [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane?
The canonical SMILES for [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane is C=C(OC(=C)C(C)(C1CCCCC1)C(F)(F)F)C(C)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane?
The InChIKey is DNFJONZDTVXCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F6O/c1-15(19(3,21(23,24)25)17-11-7-5-8-12-17)29-16(2)20(4,22(26,27)28)18-13-9-6-10-14-18/h17-18H,1-2,5-14H2,3-4H3.
What are the key properties of [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane?
[3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane has a molecular weight of 426.49 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclohexyl-4,4,4-trifluoro-3-methylbut-1-en-2-yl)oxy-1,1,1-trifluoro-2-methylbut-3-en-2-yl]cyclohexane is sourced from PubChem (CID 87940664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).