2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole

C10H15FN2 — CID 129493890

IUPAC2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole
SMILESCn1cccc1[C@@H]1CNC[C@@H]1CF
InChIInChI=1S/C10H15FN2/c1-13-4-2-3-10(13)9-7-12-6-8(9)5-11/h2-4,8-9,12H,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyUIJDCSNVVFMNKB-DTWKUNHWSA-N
MW182.24 g/mol
LogP1.30
Rot. Bonds2

About 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole

2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole (PubChem CID 129493890) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole
PubChem CID129493890
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole
SMILESCn1cccc1[C@@H]1CNC[C@@H]1CF
InChIInChI=1S/C10H15FN2/c1-13-4-2-3-10(13)9-7-12-6-8(9)5-11/h2-4,8-9,12H,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyUIJDCSNVVFMNKB-DTWKUNHWSA-N
XLogP1.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole?
The IUPAC name of 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole (CID 129493890) is 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole.
What is the SMILES notation for 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole?
The canonical SMILES for 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole is Cn1cccc1[C@@H]1CNC[C@@H]1CF.
What is the InChIKey of 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole?
The InChIKey is UIJDCSNVVFMNKB-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13-4-2-3-10(13)9-7-12-6-8(9)5-11/h2-4,8-9,12H,5-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole?
2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole has a molecular weight of 182.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole is sourced from PubChem (CID 129493890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).