1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane

C19H33F3O — CID 19026706

IUPAC1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane
SMILESCCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-23-18(19(20,21)22)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h15-18H,2-14H2,1H3
InChIKeyQJVARSPMEGMXOO-UHFFFAOYSA-N
MW334.47 g/mol
LogP6.51
Rot. Bonds7

About 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane

1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane (PubChem CID 19026706) has the molecular formula C19H33F3O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane
PubChem CID19026706
Molecular FormulaC19H33F3O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane
SMILESCCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C19H33F3O/c1-2-23-18(19(20,21)22)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h15-18H,2-14H2,1H3
InChIKeyQJVARSPMEGMXOO-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane (CID 19026706) is 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane is CCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane?
The InChIKey is QJVARSPMEGMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3O/c1-2-23-18(19(20,21)22)10-6-7-15-11-13-17(14-12-15)16-8-4-3-5-9-16/h15-18H,2-14H2,1H3.
What are the key properties of 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane?
1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane has a molecular weight of 334.47 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane is sourced from PubChem (CID 19026706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).