(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane

C17H28F4O — CID 57089438

IUPAC(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane
SMILESFC(F)(CCOC1CCCCC1)C(F)(F)CC1CCCCC1
InChIInChI=1S/C17H28F4O/c18-16(19,11-12-22-15-9-5-2-6-10-15)17(20,21)13-14-7-3-1-4-8-14/h14-15H,1-13H2
InChIKeyZWIMVERSLZCZRQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.97
Rot. Bonds7

About (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane

(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane (PubChem CID 57089438) has the molecular formula C17H28F4O and a molecular weight of 324.40 g/mol. Its IUPAC name is (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane.

Molecular Properties

Compound Name(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane
PubChem CID57089438
Molecular FormulaC17H28F4O
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Name(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane
SMILESFC(F)(CCOC1CCCCC1)C(F)(F)CC1CCCCC1
InChIInChI=1S/C17H28F4O/c18-16(19,11-12-22-15-9-5-2-6-10-15)17(20,21)13-14-7-3-1-4-8-14/h14-15H,1-13H2
InChIKeyZWIMVERSLZCZRQ-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane?
The IUPAC name of (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane (CID 57089438) is (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane.
What is the SMILES notation for (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane?
The canonical SMILES for (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane is FC(F)(CCOC1CCCCC1)C(F)(F)CC1CCCCC1.
What is the InChIKey of (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane?
The InChIKey is ZWIMVERSLZCZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F4O/c18-16(19,11-12-22-15-9-5-2-6-10-15)17(20,21)13-14-7-3-1-4-8-14/h14-15H,1-13H2.
What are the key properties of (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane?
(5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane has a molecular weight of 324.40 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyloxy-2,2,3,3-tetrafluoropentyl)cyclohexane is sourced from PubChem (CID 57089438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).