N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine

C8H15FN2 — CID 11147857

IUPACN-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine
SMILESF[C@@H]1CNC[C@@H]1CNC1CC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2/t6-,8-/m1/s1
InChIKeyQZFXTAVCZYQMQZ-HTRCEHHLSA-N
MW158.22 g/mol
LogP0.30
Rot. Bonds3

About N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine

N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 11147857) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID11147857
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine
SMILESF[C@@H]1CNC[C@@H]1CNC1CC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2/t6-,8-/m1/s1
InChIKeyQZFXTAVCZYQMQZ-HTRCEHHLSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine (CID 11147857) is N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine is F[C@@H]1CNC[C@@H]1CNC1CC1.
What is the InChIKey of N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is QZFXTAVCZYQMQZ-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2/t6-,8-/m1/s1.
What are the key properties of N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 158.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 11147857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).