(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine

C8H13FN2O — CID 141041704

IUPAC(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine
SMILESCOCC[C@@H](N)c1c[nH]cc1F
InChIInChI=1S/C8H13FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h4-5,8,11H,2-3,10H2,1H3/t8-/m1/s1
InChIKeyCQRRHJATDAYZEX-MRVPVSSYSA-N
MW172.20 g/mol
LogP1.19
Rot. Bonds4

About (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine

(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine (PubChem CID 141041704) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine
PubChem CID141041704
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine
SMILESCOCC[C@@H](N)c1c[nH]cc1F
InChIInChI=1S/C8H13FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h4-5,8,11H,2-3,10H2,1H3/t8-/m1/s1
InChIKeyCQRRHJATDAYZEX-MRVPVSSYSA-N
XLogP1.19
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine (CID 141041704) is (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine is COCC[C@@H](N)c1c[nH]cc1F.
What is the InChIKey of (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is CQRRHJATDAYZEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-12-3-2-8(10)6-4-11-5-7(6)9/h4-5,8,11H,2-3,10H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine?
(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 172.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 141041704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).