(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine

C7H14F2N2 — CID 131212587

IUPAC(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-6(10)4-11-3-2-7(8,9)5-11/h6H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyRWWGDUXPLNFBBR-LURJTMIESA-N
MW164.20 g/mol
LogP0.67
Rot. Bonds2

About (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine

(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine (PubChem CID 131212587) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
PubChem CID131212587
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-6(10)4-11-3-2-7(8,9)5-11/h6H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyRWWGDUXPLNFBBR-LURJTMIESA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine (CID 131212587) is (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine is C[C@H](N)CN1CCC(F)(F)C1.
What is the InChIKey of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine?
The InChIKey is RWWGDUXPLNFBBR-LURJTMIESA-N. The full InChI is InChI=1S/C7H14F2N2/c1-6(10)4-11-3-2-7(8,9)5-11/h6H,2-5,10H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine?
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine has a molecular weight of 164.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 131212587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).