tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate

C10H16FNO2 — CID 146598163

IUPACtert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1[C@@H](F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16FNO2/c1-7-8(11)5-6-12(7)9(13)14-10(2,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyQRTJAUPVXCLCLT-QMMMGPOBSA-N
MW201.24 g/mol
LogP2.48
Rot. Bonds

About tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate

tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate (PubChem CID 146598163) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate
PubChem CID146598163
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nametert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1[C@@H](F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16FNO2/c1-7-8(11)5-6-12(7)9(13)14-10(2,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyQRTJAUPVXCLCLT-QMMMGPOBSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate (CID 146598163) is tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate is C=C1[C@@H](F)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate?
The InChIKey is QRTJAUPVXCLCLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-7-8(11)5-6-12(7)9(13)14-10(2,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate?
tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-fluoro-2-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 146598163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).