(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine

C10H11ClFN — CID 86337458

IUPAC(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine
SMILESN[C@@H]1C[C@H](F)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFN/c11-7-3-1-6(2-4-7)10-8(12)5-9(10)13/h1-4,8-10H,5,13H2/t8-,9+,10+/m0/s1
InChIKeyJTVGJHJSHXAXSS-IVZWLZJFSA-N
MW199.66 g/mol
LogP2.49
Rot. Bonds1

About (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine

(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine (PubChem CID 86337458) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine
PubChem CID86337458
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine
SMILESN[C@@H]1C[C@H](F)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFN/c11-7-3-1-6(2-4-7)10-8(12)5-9(10)13/h1-4,8-10H,5,13H2/t8-,9+,10+/m0/s1
InChIKeyJTVGJHJSHXAXSS-IVZWLZJFSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine (CID 86337458) is (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine is N[C@@H]1C[C@H](F)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine?
The InChIKey is JTVGJHJSHXAXSS-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-7-3-1-6(2-4-7)10-8(12)5-9(10)13/h1-4,8-10H,5,13H2/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine?
(1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-2-(4-chlorophenyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 86337458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).