2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H19F7O — CID 58854818

IUPAC2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C2CCCCC2)C=C(F)C1
InChIInChI=1S/C16H19F7O/c17-12-9-13(10-12,8-4-7-11-5-2-1-3-6-11)14(24,15(18,19)20)16(21,22)23/h4,7,9,11,24H,1-3,5-6,8,10H2/b7-4+
InChIKeyILPHNRZFXRFZAB-QPJJXVBHSA-N
MW360.31 g/mol
LogP5.61
Rot. Bonds4

About 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58854818) has the molecular formula C16H19F7O and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58854818
Molecular FormulaC16H19F7O
Molecular Weight360.31 g/mol
Exact Mass360.13
IUPAC Name2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C2CCCCC2)C=C(F)C1
InChIInChI=1S/C16H19F7O/c17-12-9-13(10-12,8-4-7-11-5-2-1-3-6-11)14(24,15(18,19)20)16(21,22)23/h4,7,9,11,24H,1-3,5-6,8,10H2/b7-4+
InChIKeyILPHNRZFXRFZAB-QPJJXVBHSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol 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 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58854818) is 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(C/C=C/C2CCCCC2)C=C(F)C1.
What is the InChIKey of 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ILPHNRZFXRFZAB-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H19F7O/c17-12-9-13(10-12,8-4-7-11-5-2-1-3-6-11)14(24,15(18,19)20)16(21,22)23/h4,7,9,11,24H,1-3,5-6,8,10H2/b7-4+.
What are the key properties of 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 360.31 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58854818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).