(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

C11H22FNO — CID 146397827

IUPAC(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCC(C)(C)OCCCN1CC[C@@H](F)C1
InChIInChI=1S/C11H22FNO/c1-11(2,3)14-8-4-6-13-7-5-10(12)9-13/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyJRVLLXNBTBYECL-SNVBAGLBSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds4

About (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine

(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (PubChem CID 146397827) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
PubChem CID146397827
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
SMILESCC(C)(C)OCCCN1CC[C@@H](F)C1
InChIInChI=1S/C11H22FNO/c1-11(2,3)14-8-4-6-13-7-5-10(12)9-13/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyJRVLLXNBTBYECL-SNVBAGLBSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57585794
(3S)-3-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 58968845
3-Fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 72477190
3-Fluoro-1-(3-methoxypropyl)pyrrolidine
CID 89037355
3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217
3-Fluoro-1-methyl-4-propan-2-yloxypyrrolidine
CID 122547246
(3R)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262104
(3S)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262105
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270256
(3R)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270427

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine (CID 146397827) is (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is CC(C)(C)OCCCN1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
The InChIKey is JRVLLXNBTBYECL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(2,3)14-8-4-6-13-7-5-10(12)9-13/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine?
(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine is sourced from PubChem (CID 146397827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).