[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane

C16H23F7O2 — CID 151275279

IUPAC[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane
SMILESC=COCCCC(CC(F)(F)F)(OC(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H23F7O2/c1-2-24-10-6-9-14(11-15(18,19)20,12-7-4-3-5-8-12)25-13(17)16(21,22)23/h2,12-13H,1,3-11H2
InChIKeyNXFKXAHIGOLSIL-UHFFFAOYSA-N
MW380.34 g/mol
LogP6.07
Rot. Bonds9

About [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane

[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane (PubChem CID 151275279) has the molecular formula C16H23F7O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane.

Molecular Properties

Compound Name[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane
PubChem CID151275279
Molecular FormulaC16H23F7O2
Molecular Weight380.34 g/mol
Exact Mass380.16
IUPAC Name[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane
SMILESC=COCCCC(CC(F)(F)F)(OC(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H23F7O2/c1-2-24-10-6-9-14(11-15(18,19)20,12-7-4-3-5-8-12)25-13(17)16(21,22)23/h2,12-13H,1,3-11H2
InChIKeyNXFKXAHIGOLSIL-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.34
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane?
The IUPAC name of [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane (CID 151275279) is [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane.
What is the SMILES notation for [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane?
The canonical SMILES for [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane is C=COCCCC(CC(F)(F)F)(OC(F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane?
The InChIKey is NXFKXAHIGOLSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F7O2/c1-2-24-10-6-9-14(11-15(18,19)20,12-7-4-3-5-8-12)25-13(17)16(21,22)23/h2,12-13H,1,3-11H2.
What are the key properties of [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane?
[6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane has a molecular weight of 380.34 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethenoxy-1,1,1-trifluoro-3-(1,2,2,2-tetrafluoroethoxy)hexan-3-yl]cyclohexane is sourced from PubChem (CID 151275279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).