4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine

C9H19FN2 — CID 59289574

IUPAC4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)C1CN(C)CC1F
InChIInChI=1S/C9H19FN2/c1-7(2)12(4)9-6-11(3)5-8(9)10/h7-9H,5-6H2,1-4H3
InChIKeyQWSZPMQFCPWLRK-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.98
Rot. Bonds2

About 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine

4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 59289574) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID59289574
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)C1CN(C)CC1F
InChIInChI=1S/C9H19FN2/c1-7(2)12(4)9-6-11(3)5-8(9)10/h7-9H,5-6H2,1-4H3
InChIKeyQWSZPMQFCPWLRK-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine (CID 59289574) is 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C)C1CN(C)CC1F.
What is the InChIKey of 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is QWSZPMQFCPWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)12(4)9-6-11(3)5-8(9)10/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine?
4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 174.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 59289574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).