(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine

C10H16FN — CID 130695817

IUPAC(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine
SMILESC[C@@H](CF)NC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H16FN/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3/t7-,8+,9-,10?/m0/s1
InChIKeyQDXBLQMKPCYWCY-GFMAATOTSA-N
MW169.24 g/mol
LogP1.90
Rot. Bonds3

About (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine

(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 130695817) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine
PubChem CID130695817
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine
SMILESC[C@@H](CF)NC1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H16FN/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3/t7-,8+,9-,10?/m0/s1
InChIKeyQDXBLQMKPCYWCY-GFMAATOTSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine (CID 130695817) is (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine is C[C@@H](CF)NC1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is QDXBLQMKPCYWCY-GFMAATOTSA-N. The full InChI is InChI=1S/C10H16FN/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3/t7-,8+,9-,10?/m0/s1.
What are the key properties of (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine?
(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 169.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 130695817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).