[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane

C16H24F6O — CID 150785667

IUPAC[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane
SMILESFC(F)(F)C(OC(C1CCCCC1)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H24F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h11-14H,1-10H2
InChIKeyKCUKGIGZDVZIHD-UHFFFAOYSA-N
MW346.36 g/mol
LogP6.03
Rot. Bonds4

About [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane

[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane (PubChem CID 150785667) has the molecular formula C16H24F6O and a molecular weight of 346.36 g/mol. Its IUPAC name is [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane.

Molecular Properties

Compound Name[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane
PubChem CID150785667
Molecular FormulaC16H24F6O
Molecular Weight346.36 g/mol
Exact Mass346.17
IUPAC Name[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane
SMILESFC(F)(F)C(OC(C1CCCCC1)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H24F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h11-14H,1-10H2
InChIKeyKCUKGIGZDVZIHD-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane?
The IUPAC name of [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane (CID 150785667) is [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane.
What is the SMILES notation for [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane?
The canonical SMILES for [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane is FC(F)(F)C(OC(C1CCCCC1)C(F)(F)F)C1CCCCC1.
What is the InChIKey of [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane?
The InChIKey is KCUKGIGZDVZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h11-14H,1-10H2.
What are the key properties of [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane?
[1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane has a molecular weight of 346.36 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclohexyl-2,2,2-trifluoroethoxy)-2,2,2-trifluoroethyl]cyclohexane is sourced from PubChem (CID 150785667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).