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

C15H14FNO — CID 66714768

IUPAC5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO/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/t12-,14+/m1/s1
InChIKeyMQCYPXBHVYQSHK-OCCSQVGLSA-N
MW243.28 g/mol
LogP3.01
Rot. Bonds2

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

5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol (PubChem CID 66714768) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol
PubChem CID66714768
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C15H14FNO/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/t12-,14+/m1/s1
InChIKeyMQCYPXBHVYQSHK-OCCSQVGLSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.01
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?
The IUPAC name of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol (CID 66714768) is 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol.
What is the SMILES notation for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol?
The canonical SMILES for 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol is 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?
The InChIKey is MQCYPXBHVYQSHK-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H14FNO/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/t12-,14+/m1/s1.
What are the key properties of 5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol?
5-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]-2-fluorophenol has a molecular weight of 243.28 g/mol, XLogP of 3.01, 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 is sourced from PubChem (CID 66714768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).