(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene

C12H21FO — CID 168880770

IUPAC(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCC[C@@H](F)C[C@]1(COC)C=C(C)CC1
InChIInChI=1S/C12H21FO/c1-4-11(13)8-12(9-14-3)6-5-10(2)7-12/h7,11H,4-6,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUXVYGCOBHDRNEZ-VXGBXAGGSA-N
MW200.30 g/mol
LogP3.50
Rot. Bonds5

About (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene

(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene (PubChem CID 168880770) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
PubChem CID168880770
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCC[C@@H](F)C[C@]1(COC)C=C(C)CC1
InChIInChI=1S/C12H21FO/c1-4-11(13)8-12(9-14-3)6-5-10(2)7-12/h7,11H,4-6,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUXVYGCOBHDRNEZ-VXGBXAGGSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.50
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)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The IUPAC name of (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene (CID 168880770) is (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene.
What is the SMILES notation for (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The canonical SMILES for (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene is CC[C@@H](F)C[C@]1(COC)C=C(C)CC1.
What is the InChIKey of (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The InChIKey is UXVYGCOBHDRNEZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21FO/c1-4-11(13)8-12(9-14-3)6-5-10(2)7-12/h7,11H,4-6,8-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
(3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene has a molecular weight of 200.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene is sourced from PubChem (CID 168880770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).