trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine

C9H9ClFN — CID 11241513

IUPACtrans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFN/c10-7-3-1-6(2-4-7)9(11)5-8(9)12/h1-4,8H,5,12H2/t8-,9-/m0/s1
InChIKeyUTADHPUNQUNGFZ-IUCAKERBSA-N
MW185.63 g/mol
LogP2.24
Rot. Bonds1

About trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine

trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine (PubChem CID 11241513) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine
PubChem CID11241513
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Nametrans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFN/c10-7-3-1-6(2-4-7)9(11)5-8(9)12/h1-4,8H,5,12H2/t8-,9-/m0/s1
InChIKeyUTADHPUNQUNGFZ-IUCAKERBSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine (CID 11241513) is trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine is N[C@H]1C[C@]1(F)c1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine?
The InChIKey is UTADHPUNQUNGFZ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-7-3-1-6(2-4-7)9(11)5-8(9)12/h1-4,8H,5,12H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine?
trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chlorophenyl)-2-fluorocyclopropan-1-amine is sourced from PubChem (CID 11241513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).