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

C12H21FO — CID 168881245

IUPAC(3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCCC[C@H](F)[C@@]1(COC)C=C(C)CC1
InChIInChI=1S/C12H21FO/c1-4-5-11(13)12(9-14-3)7-6-10(2)8-12/h8,11H,4-7,9H2,1-3H3/t11-,12+/m0/s1
InChIKeyMHXWDOKQRIELOO-NWDGAFQWSA-N
MW200.30 g/mol
LogP3.50
Rot. Bonds5

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

(3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene (PubChem CID 168881245) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
PubChem CID168881245
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name(3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene
SMILESCCC[C@H](F)[C@@]1(COC)C=C(C)CC1
InChIInChI=1S/C12H21FO/c1-4-5-11(13)12(9-14-3)7-6-10(2)8-12/h8,11H,4-7,9H2,1-3H3/t11-,12+/m0/s1
InChIKeyMHXWDOKQRIELOO-NWDGAFQWSA-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'}

Analyze (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The IUPAC name of (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene (CID 168881245) is (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene.
What is the SMILES notation for (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The canonical SMILES for (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene is CCC[C@H](F)[C@@]1(COC)C=C(C)CC1.
What is the InChIKey of (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
The InChIKey is MHXWDOKQRIELOO-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H21FO/c1-4-5-11(13)12(9-14-3)7-6-10(2)8-12/h8,11H,4-7,9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene?
(3R)-3-[(1S)-1-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 (3R)-3-[(1S)-1-fluorobutyl]-3-(methoxymethyl)-1-methylcyclopentene is sourced from PubChem (CID 168881245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).