(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene

C13H23FO — CID 168880994

IUPAC(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCC[C@@H](F)[C@@H](C)[C@]1(COC)C=C(C)CC1
InChIInChI=1S/C13H23FO/c1-5-12(14)11(3)13(9-15-4)7-6-10(2)8-13/h8,11-12H,5-7,9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyVEZLASWJVYCYLG-UPJWGTAASA-N
MW214.32 g/mol
LogP3.74
Rot. Bonds5

About (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene

(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene (PubChem CID 168880994) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene.

Molecular Properties

Compound Name(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
PubChem CID168880994
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCC[C@@H](F)[C@@H](C)[C@]1(COC)C=C(C)CC1
InChIInChI=1S/C13H23FO/c1-5-12(14)11(3)13(9-15-4)7-6-10(2)8-13/h8,11-12H,5-7,9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyVEZLASWJVYCYLG-UPJWGTAASA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene?
The IUPAC name of (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene (CID 168880994) is (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene.
What is the SMILES notation for (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene?
The canonical SMILES for (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene is CC[C@@H](F)[C@@H](C)[C@]1(COC)C=C(C)CC1.
What is the InChIKey of (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene?
The InChIKey is VEZLASWJVYCYLG-UPJWGTAASA-N. The full InChI is InChI=1S/C13H23FO/c1-5-12(14)11(3)13(9-15-4)7-6-10(2)8-13/h8,11-12H,5-7,9H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene?
(3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene has a molecular weight of 214.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S,3R)-3-fluoropentan-2-yl]-3-(methoxymethyl)-1-methylcyclopentene is sourced from PubChem (CID 168880994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).