trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine

C9H10FN — CID 10374615

IUPACtrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C9H10FN/c10-9(6-8(9)11)7-4-2-1-3-5-7/h1-5,8H,6,11H2/t8-,9-/m0/s1
InChIKeyUJTQURLMCYMANH-IUCAKERBSA-N
MW151.18 g/mol
LogP1.58
Rot. Bonds1

About trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine

trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine (PubChem CID 10374615) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine
PubChem CID10374615
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Nametrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C9H10FN/c10-9(6-8(9)11)7-4-2-1-3-5-7/h1-5,8H,6,11H2/t8-,9-/m0/s1
InChIKeyUJTQURLMCYMANH-IUCAKERBSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.58
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-fluoro-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine (CID 10374615) is trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine is N[C@H]1C[C@]1(F)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine?
The InChIKey is UJTQURLMCYMANH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H10FN/c10-9(6-8(9)11)7-4-2-1-3-5-7/h1-5,8H,6,11H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine?
trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine has a molecular weight of 151.18 g/mol, XLogP of 1.58, 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-fluoro-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 10374615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).