3-fluoro-N-phenylpyrrolidin-1-amine

C10H13FN2 — CID 91274914

IUPAC3-fluoro-N-phenylpyrrolidin-1-amine
SMILESFC1CCN(Nc2ccccc2)C1
InChIInChI=1S/C10H13FN2/c11-9-6-7-13(8-9)12-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2
InChIKeySHTUMVBVXOUWLE-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.06
Rot. Bonds2

About 3-fluoro-N-phenylpyrrolidin-1-amine

3-fluoro-N-phenylpyrrolidin-1-amine (PubChem CID 91274914) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-fluoro-N-phenylpyrrolidin-1-amine
PubChem CID91274914
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-N-phenylpyrrolidin-1-amine
SMILESFC1CCN(Nc2ccccc2)C1
InChIInChI=1S/C10H13FN2/c11-9-6-7-13(8-9)12-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2
InChIKeySHTUMVBVXOUWLE-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenylpyrrolidin-1-amine?
The IUPAC name of 3-fluoro-N-phenylpyrrolidin-1-amine (CID 91274914) is 3-fluoro-N-phenylpyrrolidin-1-amine.
What is the SMILES notation for 3-fluoro-N-phenylpyrrolidin-1-amine?
The canonical SMILES for 3-fluoro-N-phenylpyrrolidin-1-amine is FC1CCN(Nc2ccccc2)C1.
What is the InChIKey of 3-fluoro-N-phenylpyrrolidin-1-amine?
The InChIKey is SHTUMVBVXOUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-6-7-13(8-9)12-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2.
What are the key properties of 3-fluoro-N-phenylpyrrolidin-1-amine?
3-fluoro-N-phenylpyrrolidin-1-amine has a molecular weight of 180.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 91274914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).