1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine

C8H16F2N2O — CID 166795986

IUPAC1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
SMILESCC(N)COC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C8H16F2N2O/c1-6(11)3-13-4-7-2-8(9,10)5-12-7/h6-7,12H,2-5,11H2,1H3/t6?,7-/m0/s1
InChIKeyVJIDZYUOMNIFNI-MLWJPKLSSA-N
MW194.22 g/mol
LogP0.35
Rot. Bonds4

About 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine

1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine (PubChem CID 166795986) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine.

Molecular Properties

Compound Name1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
PubChem CID166795986
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
SMILESCC(N)COC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C8H16F2N2O/c1-6(11)3-13-4-7-2-8(9,10)5-12-7/h6-7,12H,2-5,11H2,1H3/t6?,7-/m0/s1
InChIKeyVJIDZYUOMNIFNI-MLWJPKLSSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine?
The IUPAC name of 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine (CID 166795986) is 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine.
What is the SMILES notation for 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine?
The canonical SMILES for 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine is CC(N)COC[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine?
The InChIKey is VJIDZYUOMNIFNI-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-6(11)3-13-4-7-2-8(9,10)5-12-7/h6-7,12H,2-5,11H2,1H3/t6?,7-/m0/s1.
What are the key properties of 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine?
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine has a molecular weight of 194.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine is sourced from PubChem (CID 166795986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).