(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

C15H25FO4 — CID 70384704

IUPAC(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCC2)[C@H]2COC1(CF)O2
InChIInChI=1S/C15H25FO4/c1-17-14-7-12(13-9-19-15(14,10-16)20-13)18-8-11-5-3-2-4-6-11/h11-14H,2-10H2,1H3/t12-,13+,14+,15?/m0/s1
InChIKeyVVDZMZDYHVXNLV-DWHDPIQZSA-N
MW288.36 g/mol
LogP2.45
Rot. Bonds5

About (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 70384704) has the molecular formula C15H25FO4 and a molecular weight of 288.36 g/mol. Its IUPAC name is (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID70384704
Molecular FormulaC15H25FO4
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCC2CCCCC2)[C@H]2COC1(CF)O2
InChIInChI=1S/C15H25FO4/c1-17-14-7-12(13-9-19-15(14,10-16)20-13)18-8-11-5-3-2-4-6-11/h11-14H,2-10H2,1H3/t12-,13+,14+,15?/m0/s1
InChIKeyVVDZMZDYHVXNLV-DWHDPIQZSA-N
XLogP2.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane 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 (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (CID 70384704) is (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCC2CCCCC2)[C@H]2COC1(CF)O2.
What is the InChIKey of (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is VVDZMZDYHVXNLV-DWHDPIQZSA-N. The full InChI is InChI=1S/C15H25FO4/c1-17-14-7-12(13-9-19-15(14,10-16)20-13)18-8-11-5-3-2-4-6-11/h11-14H,2-10H2,1H3/t12-,13+,14+,15?/m0/s1.
What are the key properties of (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 288.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 70384704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).