6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal

C14H21F5O2 — CID 91430681

IUPAC6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal
SMILESO=CC(CCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O2/c15-13(16,14(17,18)19)11(10-20)6-4-5-9-21-12-7-2-1-3-8-12/h10-12H,1-9H2
InChIKeyBODYEAQRBVHUPF-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.52
Rot. Bonds8

About 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal

6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal (PubChem CID 91430681) has the molecular formula C14H21F5O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal.

Molecular Properties

Compound Name6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal
PubChem CID91430681
Molecular FormulaC14H21F5O2
Molecular Weight316.31 g/mol
Exact Mass316.15
IUPAC Name6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal
SMILESO=CC(CCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F5O2/c15-13(16,14(17,18)19)11(10-20)6-4-5-9-21-12-7-2-1-3-8-12/h10-12H,1-9H2
InChIKeyBODYEAQRBVHUPF-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal?
The IUPAC name of 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal (CID 91430681) is 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal.
What is the SMILES notation for 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal?
The canonical SMILES for 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal is O=CC(CCCCOC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal?
The InChIKey is BODYEAQRBVHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5O2/c15-13(16,14(17,18)19)11(10-20)6-4-5-9-21-12-7-2-1-3-8-12/h10-12H,1-9H2.
What are the key properties of 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal?
6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal has a molecular weight of 316.31 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexanal is sourced from PubChem (CID 91430681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).