(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine

C6H12F2N2 — CID 79005005

IUPAC(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2/t5-/m1/s1
InChIKeySTFHSLYWFPMOHR-RXMQYKEDSA-N
MW150.17 g/mol
LogP0.28
Rot. Bonds2

About (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine

(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine (PubChem CID 79005005) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
PubChem CID79005005
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2/t5-/m1/s1
InChIKeySTFHSLYWFPMOHR-RXMQYKEDSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
CID 84664091
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine (CID 79005005) is (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine is N[C@@H]1CCN(CC(F)F)C1.
What is the InChIKey of (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine?
The InChIKey is STFHSLYWFPMOHR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2/t5-/m1/s1.
What are the key properties of (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine?
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine has a molecular weight of 150.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 79005005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).