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

C9H11ClFN — CID 11252448

IUPACtrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C9H10FN.ClH/c10-9(6-8(9)11)7-4-2-1-3-5-7;/h1-5,8H,6,11H2;1H/t8-,9-;/m0./s1
InChIKeyILZULPIKBDNQEZ-OZZZDHQUSA-N
MW187.65 g/mol
LogP2.00
Rot. Bonds1

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

trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 11252448) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID11252448
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Nametrans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C9H10FN.ClH/c10-9(6-8(9)11)7-4-2-1-3-5-7;/h1-5,8H,6,11H2;1H/t8-,9-;/m0./s1
InChIKeyILZULPIKBDNQEZ-OZZZDHQUSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.00
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;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride (CID 11252448) is trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride is Cl.N[C@H]1C[C@]1(F)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is ILZULPIKBDNQEZ-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H10FN.ClH/c10-9(6-8(9)11)7-4-2-1-3-5-7;/h1-5,8H,6,11H2;1H/t8-,9-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride?
trans-(1S,2S)-2-fluoro-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 2.00, 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;hydrochloride is sourced from PubChem (CID 11252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).