2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one

C14H19F5O2 — CID 91272120

IUPAC2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
SMILESO=C1CCCCC1(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F5O2/c15-13(16,14(17,18)19)12(9-5-4-8-11(12)20)21-10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyDXNDOKMPDPVNDZ-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.42
Rot. Bonds3

About 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one

2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one (PubChem CID 91272120) has the molecular formula C14H19F5O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
PubChem CID91272120
Molecular FormulaC14H19F5O2
Molecular Weight314.29 g/mol
Exact Mass314.13
IUPAC Name2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
SMILESO=C1CCCCC1(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F5O2/c15-13(16,14(17,18)19)12(9-5-4-8-11(12)20)21-10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyDXNDOKMPDPVNDZ-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The IUPAC name of 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one (CID 91272120) is 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one.
What is the SMILES notation for 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The canonical SMILES for 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one is O=C1CCCCC1(OC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
The InChIKey is DXNDOKMPDPVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5O2/c15-13(16,14(17,18)19)12(9-5-4-8-11(12)20)21-10-6-2-1-3-7-10/h10H,1-9H2.
What are the key properties of 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one?
2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one has a molecular weight of 314.29 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one is sourced from PubChem (CID 91272120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).