(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine

C7H13FN2O — CID 69172560

IUPAC(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine
SMILESCN1C[C@]2(N)COC[C@]2(F)C1
InChIInChI=1S/C7H13FN2O/c1-10-2-6(8)4-11-5-7(6,9)3-10/h2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeySZBDYYTYJCSZCK-RQJHMYQMSA-N
MW160.19 g/mol
LogP-0.63
Rot. Bonds

About (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine

(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine (PubChem CID 69172560) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine.

Molecular Properties

Compound Name(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine
PubChem CID69172560
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine
SMILESCN1C[C@]2(N)COC[C@]2(F)C1
InChIInChI=1S/C7H13FN2O/c1-10-2-6(8)4-11-5-7(6,9)3-10/h2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeySZBDYYTYJCSZCK-RQJHMYQMSA-N
XLogP-0.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine?
The IUPAC name of (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine (CID 69172560) is (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine.
What is the SMILES notation for (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine?
The canonical SMILES for (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine is CN1C[C@]2(N)COC[C@]2(F)C1.
What is the InChIKey of (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine?
The InChIKey is SZBDYYTYJCSZCK-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-10-2-6(8)4-11-5-7(6,9)3-10/h2-5,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine?
(3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine has a molecular weight of 160.19 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-fluoro-5-methyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-6a-amine is sourced from PubChem (CID 69172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).