(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine

C6H11F3N2 — CID 71646706

IUPAC(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN([C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-11(6(7,8)9)5-2-3-10-4-5/h5,10H,2-4H2,1H3/t5-/m1/s1
InChIKeyYVKIZWPQWLCMJF-RXMQYKEDSA-N
MW168.16 g/mol
LogP0.80
Rot. Bonds1

About (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine

(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 71646706) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID71646706
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN([C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-11(6(7,8)9)5-2-3-10-4-5/h5,10H,2-4H2,1H3/t5-/m1/s1
InChIKeyYVKIZWPQWLCMJF-RXMQYKEDSA-N
XLogP0.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N,2-dimethyl-N-pyrrolidin-3-ylpropane-2-sulfonamide
CID 63689710
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 63297774

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine (CID 71646706) is (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine is CN([C@@H]1CCNC1)C(F)(F)F.
What is the InChIKey of (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is YVKIZWPQWLCMJF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-11(6(7,8)9)5-2-3-10-4-5/h5,10H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine?
(3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71646706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).