(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine

C9H18FNO — CID 145385533

IUPAC(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
SMILESCCOCCCN1CC[C@@H](F)C1
InChIInChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyZHYATYDTYGJMBV-SECBINFHSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine

(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine (PubChem CID 145385533) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
PubChem CID145385533
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
SMILESCCOCCCN1CC[C@@H](F)C1
InChIInChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyZHYATYDTYGJMBV-SECBINFHSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
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

Pyrrolidine, 1-(4-ethoxy-2-butynyl)-
CID 199270
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58215858
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
CID 88974397
3-Fluoro-1-(3-methoxypropyl)pyrrolidine
CID 89037355
3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine (CID 145385533) is (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine is CCOCCCN1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine?
The InChIKey is ZHYATYDTYGJMBV-SECBINFHSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-12-7-3-5-11-6-4-9(10)8-11/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine?
(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine is sourced from PubChem (CID 145385533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).