(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol

C10H17F3N2O — CID 57162465

IUPAC(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
SMILESCCCCCC1N=C(N)[C@@H](O)[C@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6?,7-,8-/m0/s1
InChIKeyQPCOVZGFEDAINP-ALKRTJFJSA-N
MW238.25 g/mol
LogP1.85
Rot. Bonds4

About (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol

(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol (PubChem CID 57162465) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol.

Molecular Properties

Compound Name(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
PubChem CID57162465
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
SMILESCCCCCC1N=C(N)[C@@H](O)[C@H]1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6?,7-,8-/m0/s1
InChIKeyQPCOVZGFEDAINP-ALKRTJFJSA-N
XLogP1.85
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The IUPAC name of (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol (CID 57162465) is (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol.
What is the SMILES notation for (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The canonical SMILES for (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol is CCCCCC1N=C(N)[C@@H](O)[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
The InChIKey is QPCOVZGFEDAINP-ALKRTJFJSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-4-5-6-7(10(11,12)13)8(16)9(14)15-6/h6-8,16H,2-5H2,1H3,(H2,14,15)/t6?,7-,8-/m0/s1.
What are the key properties of (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol?
(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol has a molecular weight of 238.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol is sourced from PubChem (CID 57162465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).