(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine

C6H12F2N2O — CID 175818250

IUPAC(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine
SMILESCC(F)(F)O[C@H]1CNC[C@H]1N
InChIInChI=1S/C6H12F2N2O/c1-6(7,8)11-5-3-10-2-4(5)9/h4-5,10H,2-3,9H2,1H3/t4-,5+/m1/s1
InChIKeyJKFIGSCYANCSSK-UHNVWZDZSA-N
MW166.17 g/mol
LogP-0.09
Rot. Bonds2

About (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine

(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine (PubChem CID 175818250) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine
PubChem CID175818250
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine
SMILESCC(F)(F)O[C@H]1CNC[C@H]1N
InChIInChI=1S/C6H12F2N2O/c1-6(7,8)11-5-3-10-2-4(5)9/h4-5,10H,2-3,9H2,1H3/t4-,5+/m1/s1
InChIKeyJKFIGSCYANCSSK-UHNVWZDZSA-N
XLogP-0.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine (CID 175818250) is (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine is CC(F)(F)O[C@H]1CNC[C@H]1N.
What is the InChIKey of (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine?
The InChIKey is JKFIGSCYANCSSK-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12F2N2O/c1-6(7,8)11-5-3-10-2-4(5)9/h4-5,10H,2-3,9H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine?
(3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine has a molecular weight of 166.17 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1,1-difluoroethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 175818250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).