2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine

C6H12F2N2 — CID 55265093

IUPAC2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine
SMILESNCCN1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C6H12F2N2/c7-5-3-10(2-1-9)4-6(5)8/h5-6H,1-4,9H2/t5-,6-/m1/s1
InChIKeyWILLGJVEEBGWJD-PHDIDXHHSA-N
MW150.17 g/mol
LogP-0.06
Rot. Bonds2

About 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine

2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine (PubChem CID 55265093) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine
PubChem CID55265093
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine
SMILESNCCN1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C6H12F2N2/c7-5-3-10(2-1-9)4-6(5)8/h5-6H,1-4,9H2/t5-,6-/m1/s1
InChIKeyWILLGJVEEBGWJD-PHDIDXHHSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidineethanamine
CID 1344
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-(2,2-Difluoroethyl)pyrrolidin-3-amine
CID 62067703
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
2-(3,3-Difluoropyrrolidin-1-yl)ethan-1-amine
CID 53403552
(3S,4R)-4-Fluoro-1-methylpyrrolidin-3-amine
CID 68271596
(3S,4S)-4-fluoro-1-methylpyrrolidin-3-amine
CID 146163112
2-(3-Fluoropyrrolidin-1-yl)ethan-1-amine
CID 18179948
4-Fluoro-1-methylpyrrolidin-3-amine
CID 20763703
(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 51887465
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 51887467
2-(3,4-Difluoropyrrolidin-1-yl)ethanamine
CID 53435652

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine (CID 55265093) is 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine is NCCN1C[C@@H](F)[C@H](F)C1.
What is the InChIKey of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine?
The InChIKey is WILLGJVEEBGWJD-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-5-3-10(2-1-9)4-6(5)8/h5-6H,1-4,9H2/t5-,6-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine?
2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine has a molecular weight of 150.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 55265093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).