5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride

C15H15ClFNO — CID 162321777

IUPAC5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1
InChIKeyXBMAMOYBJTUONE-OJMBIDBESA-N
MW279.74 g/mol
LogP3.43
Rot. Bonds2

About 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride

5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride (PubChem CID 162321777) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
PubChem CID162321777
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1
InChIKeyXBMAMOYBJTUONE-OJMBIDBESA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride (CID 162321777) is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride is Cl.N[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1.
What is the InChIKey of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
The InChIKey is XBMAMOYBJTUONE-OJMBIDBESA-N. The full InChI is InChI=1S/C15H14FNO.ClH/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17;/h1-7,12,14,18H,8,17H2;1H/t12-,14+;/m1./s1.
What are the key properties of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride?
5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 162321777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).