(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene

C13H23FO — CID 168880987

IUPAC(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene
SMILESCC[C@H](F)C[C@]1(COC)C=C(C)[C@@H](C)C1
InChIInChI=1S/C13H23FO/c1-5-12(14)8-13(9-15-4)6-10(2)11(3)7-13/h6,11-12H,5,7-9H2,1-4H3/t11-,12-,13-/m0/s1
InChIKeyYZQCZYMDWOLKQA-AVGNSLFASA-N
MW214.32 g/mol
LogP3.74
Rot. Bonds5

About (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene

(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene (PubChem CID 168880987) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene.

Molecular Properties

Compound Name(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene
PubChem CID168880987
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene
SMILESCC[C@H](F)C[C@]1(COC)C=C(C)[C@@H](C)C1
InChIInChI=1S/C13H23FO/c1-5-12(14)8-13(9-15-4)6-10(2)11(3)7-13/h6,11-12H,5,7-9H2,1-4H3/t11-,12-,13-/m0/s1
InChIKeyYZQCZYMDWOLKQA-AVGNSLFASA-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 (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene?
The IUPAC name of (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene (CID 168880987) is (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene.
What is the SMILES notation for (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene?
The canonical SMILES for (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene is CC[C@H](F)C[C@]1(COC)C=C(C)[C@@H](C)C1.
What is the InChIKey of (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene?
The InChIKey is YZQCZYMDWOLKQA-AVGNSLFASA-N. The full InChI is InChI=1S/C13H23FO/c1-5-12(14)8-13(9-15-4)6-10(2)11(3)7-13/h6,11-12H,5,7-9H2,1-4H3/t11-,12-,13-/m0/s1.
What are the key properties of (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene?
(3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene 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 (3S,5S)-3-[(2S)-2-fluorobutyl]-3-(methoxymethyl)-1,5-dimethylcyclopentene is sourced from PubChem (CID 168880987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).