3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one

C9H17FN2O — CID 169259020

IUPAC3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCC(C)NCC1(CF)CCNC1=O
InChIInChI=1S/C9H17FN2O/c1-7(2)12-6-9(5-10)3-4-11-8(9)13/h7,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyRVVLHRSWJSXASF-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.46
Rot. Bonds4

About 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one

3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one (PubChem CID 169259020) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
PubChem CID169259020
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCC(C)NCC1(CF)CCNC1=O
InChIInChI=1S/C9H17FN2O/c1-7(2)12-6-9(5-10)3-4-11-8(9)13/h7,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyRVVLHRSWJSXASF-UHFFFAOYSA-N
XLogP0.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one (CID 169259020) is 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one is CC(C)NCC1(CF)CCNC1=O.
What is the InChIKey of 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is RVVLHRSWJSXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(2)12-6-9(5-10)3-4-11-8(9)13/h7,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one?
3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 169259020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).