(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine

C11H13F3N2 — CID 142326312

IUPAC(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2c(F)ccc(F)c2F)C1
InChIInChI=1S/C11H13F3N2/c12-9-1-2-10(13)11(14)8(9)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2/t7-/m1/s1
InChIKeyIHGFUFPVWNOWNI-SSDOTTSWSA-N
MW230.23 g/mol
LogP1.64
Rot. Bonds2

About (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 142326312) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID142326312
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2c(F)ccc(F)c2F)C1
InChIInChI=1S/C11H13F3N2/c12-9-1-2-10(13)11(14)8(9)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2/t7-/m1/s1
InChIKeyIHGFUFPVWNOWNI-SSDOTTSWSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
CID 106264844
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
CID 43556413
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 106269061
1-[[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidin-3-amine
CID 140776998
1-[1-[(2,6-difluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843374
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine (CID 142326312) is (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2c(F)ccc(F)c2F)C1.
What is the InChIKey of (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is IHGFUFPVWNOWNI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-9-1-2-10(13)11(14)8(9)6-16-4-3-7(15)5-16/h1-2,7H,3-6,15H2/t7-/m1/s1.
What are the key properties of (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 142326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).