(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane

C12H23FO — CID 11275709

IUPAC(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane
SMILESCCCCCCC[C@@H]1C[C@@](C)(F)CO1
InChIInChI=1S/C12H23FO/c1-3-4-5-6-7-8-11-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJBJSAISIACXRLN-VXGBXAGGSA-N
MW202.31 g/mol
LogP3.86
Rot. Bonds6

About (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane

(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane (PubChem CID 11275709) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane
PubChem CID11275709
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane
SMILESCCCCCCC[C@@H]1C[C@@](C)(F)CO1
InChIInChI=1S/C12H23FO/c1-3-4-5-6-7-8-11-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJBJSAISIACXRLN-VXGBXAGGSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane 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

2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(3S,5R)-3-pentyl-2-oxaspiro[4.4]nonan-9-one
CID 46896868
4,4-difluoro-2-propyloxolane
CID 170980405
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane?
The IUPAC name of (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane (CID 11275709) is (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane.
What is the SMILES notation for (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane?
The canonical SMILES for (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane is CCCCCCC[C@@H]1C[C@@](C)(F)CO1.
What is the InChIKey of (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane?
The InChIKey is JBJSAISIACXRLN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23FO/c1-3-4-5-6-7-8-11-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane?
(2R,4R)-4-fluoro-2-heptyl-4-methyloxolane has a molecular weight of 202.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-heptyl-4-methyloxolane is sourced from PubChem (CID 11275709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).