(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane

C11H20FNO2 — CID 157473658

IUPAC(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane
SMILESC.CC(C)(C)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C10H16FNO2.CH4/c1-10(2,3)12-4-6(11)9-8(12)7(13)5-14-9;/h6,8-9H,4-5H2,1-3H3;1H4/t6-,8+,9+;/m0./s1
InChIKeyBVIFAXZAHDFSLB-IVWNVDGJSA-N
MW217.28 g/mol
LogP1.41
Rot. Bonds

About (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane

(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane (PubChem CID 157473658) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane.

Molecular Properties

Compound Name(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane
PubChem CID157473658
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane
SMILESC.CC(C)(C)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C10H16FNO2.CH4/c1-10(2,3)12-4-6(11)9-8(12)7(13)5-14-9;/h6,8-9H,4-5H2,1-3H3;1H4/t6-,8+,9+;/m0./s1
InChIKeyBVIFAXZAHDFSLB-IVWNVDGJSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane?
The IUPAC name of (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane (CID 157473658) is (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane.
What is the SMILES notation for (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane?
The canonical SMILES for (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane is C.CC(C)(C)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21.
What is the InChIKey of (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane?
The InChIKey is BVIFAXZAHDFSLB-IVWNVDGJSA-N. The full InChI is InChI=1S/C10H16FNO2.CH4/c1-10(2,3)12-4-6(11)9-8(12)7(13)5-14-9;/h6,8-9H,4-5H2,1-3H3;1H4/t6-,8+,9+;/m0./s1.
What are the key properties of (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane?
(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane has a molecular weight of 217.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane is sourced from PubChem (CID 157473658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).