N-fluoro-N-phenylpyrrolidin-1-amine

C10H13FN2 — CID 19979180

IUPACN-fluoro-N-phenylpyrrolidin-1-amine
SMILESFN(c1ccccc1)N1CCCC1
InChIInChI=1S/C10H13FN2/c11-13(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyMZZQCLLCZCMFEX-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.39
Rot. Bonds2

About N-fluoro-N-phenylpyrrolidin-1-amine

N-fluoro-N-phenylpyrrolidin-1-amine (PubChem CID 19979180) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-fluoro-N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound NameN-fluoro-N-phenylpyrrolidin-1-amine
PubChem CID19979180
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-fluoro-N-phenylpyrrolidin-1-amine
SMILESFN(c1ccccc1)N1CCCC1
InChIInChI=1S/C10H13FN2/c11-13(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyMZZQCLLCZCMFEX-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-phenylpyrrolidin-1-amine?
The IUPAC name of N-fluoro-N-phenylpyrrolidin-1-amine (CID 19979180) is N-fluoro-N-phenylpyrrolidin-1-amine.
What is the SMILES notation for N-fluoro-N-phenylpyrrolidin-1-amine?
The canonical SMILES for N-fluoro-N-phenylpyrrolidin-1-amine is FN(c1ccccc1)N1CCCC1.
What is the InChIKey of N-fluoro-N-phenylpyrrolidin-1-amine?
The InChIKey is MZZQCLLCZCMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-13(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of N-fluoro-N-phenylpyrrolidin-1-amine?
N-fluoro-N-phenylpyrrolidin-1-amine has a molecular weight of 180.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 19979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).