methyl (2R,4R)-4-fluorooxane-2-carboxylate

C7H11FO3 — CID 45090783

IUPACmethyl (2R,4R)-4-fluorooxane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](F)CCO1
InChIInChI=1S/C7H11FO3/c1-10-7(9)6-4-5(8)2-3-11-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyLBMDWIPBGKOEPK-PHDIDXHHSA-N
MW162.16 g/mol
LogP0.68
Rot. Bonds1

About methyl (2R,4R)-4-fluorooxane-2-carboxylate

methyl (2R,4R)-4-fluorooxane-2-carboxylate (PubChem CID 45090783) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is methyl (2R,4R)-4-fluorooxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-fluorooxane-2-carboxylate
PubChem CID45090783
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namemethyl (2R,4R)-4-fluorooxane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](F)CCO1
InChIInChI=1S/C7H11FO3/c1-10-7(9)6-4-5(8)2-3-11-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyLBMDWIPBGKOEPK-PHDIDXHHSA-N
XLogP0.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R,4R)-4-fluorooxane-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
CID 129418708
methyl (4R)-4-aminooxolane-2-carboxylate
CID 166752126
7-O-tert-butyl 8-O-methyl (5aS)-4-fluoro-2,3,4,5,5a,6,8,8a-octahydrooxepino[2,3-c]pyrrole-7,8-dicarboxylate
CID 137487130
methyl 3,7-dioxabicyclo[4.1.0]heptane-4-carboxylate
CID 58683503
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (2S,5R)-5-hydroxyoxane-2-carboxylate
CID 67431822
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
methyl (2S,3R)-2-(difluoromethyl)oxolane-3-carboxylate
CID 99985992
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
[2-(hydroxymethyl)oxolan-2-yl]methanol;methyl oxolane-2-carboxylate
CID 157379582

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-fluorooxane-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-fluorooxane-2-carboxylate (CID 45090783) is methyl (2R,4R)-4-fluorooxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-fluorooxane-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-fluorooxane-2-carboxylate is COC(=O)[C@H]1C[C@H](F)CCO1.
What is the InChIKey of methyl (2R,4R)-4-fluorooxane-2-carboxylate?
The InChIKey is LBMDWIPBGKOEPK-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11FO3/c1-10-7(9)6-4-5(8)2-3-11-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of methyl (2R,4R)-4-fluorooxane-2-carboxylate?
methyl (2R,4R)-4-fluorooxane-2-carboxylate has a molecular weight of 162.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-fluorooxane-2-carboxylate is sourced from PubChem (CID 45090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).