(1-fluoroethylamino)-pyrrolidin-3-ylmethanol

C7H15FN2O — CID 142629274

IUPAC(1-fluoroethylamino)-pyrrolidin-3-ylmethanol
SMILESCC(F)NC(O)C1CCNC1
InChIInChI=1S/C7H15FN2O/c1-5(8)10-7(11)6-2-3-9-4-6/h5-7,9-11H,2-4H2,1H3
InChIKeyAEIISSSXMGNZCF-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.18
Rot. Bonds3

About (1-fluoroethylamino)-pyrrolidin-3-ylmethanol

(1-fluoroethylamino)-pyrrolidin-3-ylmethanol (PubChem CID 142629274) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (1-fluoroethylamino)-pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Name(1-fluoroethylamino)-pyrrolidin-3-ylmethanol
PubChem CID142629274
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(1-fluoroethylamino)-pyrrolidin-3-ylmethanol
SMILESCC(F)NC(O)C1CCNC1
InChIInChI=1S/C7H15FN2O/c1-5(8)10-7(11)6-2-3-9-4-6/h5-7,9-11H,2-4H2,1H3
InChIKeyAEIISSSXMGNZCF-UHFFFAOYSA-N
XLogP-0.18
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluoroethylamino)-pyrrolidin-3-ylmethanol?
The IUPAC name of (1-fluoroethylamino)-pyrrolidin-3-ylmethanol (CID 142629274) is (1-fluoroethylamino)-pyrrolidin-3-ylmethanol.
What is the SMILES notation for (1-fluoroethylamino)-pyrrolidin-3-ylmethanol?
The canonical SMILES for (1-fluoroethylamino)-pyrrolidin-3-ylmethanol is CC(F)NC(O)C1CCNC1.
What is the InChIKey of (1-fluoroethylamino)-pyrrolidin-3-ylmethanol?
The InChIKey is AEIISSSXMGNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-5(8)10-7(11)6-2-3-9-4-6/h5-7,9-11H,2-4H2,1H3.
What are the key properties of (1-fluoroethylamino)-pyrrolidin-3-ylmethanol?
(1-fluoroethylamino)-pyrrolidin-3-ylmethanol has a molecular weight of 162.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoroethylamino)-pyrrolidin-3-ylmethanol is sourced from PubChem (CID 142629274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).