(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine

C8H17FN2O — CID 141041688

IUPAC(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine
SMILESCOCC[C@H](N)[C@H]1CNC[C@H]1F
InChIInChI=1S/C8H17FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h6-8,11H,2-5,10H2,1H3/t6-,7+,8-/m0/s1
InChIKeyHUFYVTZRRTYOMK-RNJXMRFFSA-N
MW176.23 g/mol
LogP-0.09
Rot. Bonds4

About (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine

(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine (PubChem CID 141041688) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine
PubChem CID141041688
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine
SMILESCOCC[C@H](N)[C@H]1CNC[C@H]1F
InChIInChI=1S/C8H17FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h6-8,11H,2-5,10H2,1H3/t6-,7+,8-/m0/s1
InChIKeyHUFYVTZRRTYOMK-RNJXMRFFSA-N
XLogP-0.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
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 (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine?
The IUPAC name of (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine (CID 141041688) is (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine?
The canonical SMILES for (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine is COCC[C@H](N)[C@H]1CNC[C@H]1F.
What is the InChIKey of (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine?
The InChIKey is HUFYVTZRRTYOMK-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h6-8,11H,2-5,10H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine?
(1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine has a molecular weight of 176.23 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 141041688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).