[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine

C11H23FN2 — CID 174037755

IUPAC[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)[C@@H]1C[C@@H](F)[C@@H](CN)N1C(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)10-5-9(12)11(6-13)14(10)8(3)4/h7-11H,5-6,13H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyMIQQQVNWHUJLAK-OUAUKWLOSA-N
MW202.32 g/mol
LogP1.79
Rot. Bonds3

About [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine

[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 174037755) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID174037755
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)[C@@H]1C[C@@H](F)[C@@H](CN)N1C(C)C
InChIInChI=1S/C11H23FN2/c1-7(2)10-5-9(12)11(6-13)14(10)8(3)4/h7-11H,5-6,13H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyMIQQQVNWHUJLAK-OUAUKWLOSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine (CID 174037755) is [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine is CC(C)[C@@H]1C[C@@H](F)[C@@H](CN)N1C(C)C.
What is the InChIKey of [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is MIQQQVNWHUJLAK-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H23FN2/c1-7(2)10-5-9(12)11(6-13)14(10)8(3)4/h7-11H,5-6,13H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine?
[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 202.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 174037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).