[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol

C15H19F2NO2 — CID 75502644

IUPAC[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(COc1ccc(F)c(F)c1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H19F2NO2/c1-10(18-12-3-2-11(6-12)8-19)9-20-13-4-5-14(16)15(17)7-13/h2-5,7,10-12,18-19H,6,8-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyZIGSJHCWBLGCMM-GLXQMMQGSA-N
MW283.32 g/mol
LogP2.26
Rot. Bonds6

About [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 75502644) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
PubChem CID75502644
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol
SMILESCC(COc1ccc(F)c(F)c1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H19F2NO2/c1-10(18-12-3-2-11(6-12)8-19)9-20-13-4-5-14(16)15(17)7-13/h2-5,7,10-12,18-19H,6,8-9H2,1H3/t10?,11-,12+/m0/s1
InChIKeyZIGSJHCWBLGCMM-GLXQMMQGSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol (CID 75502644) is [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol is CC(COc1ccc(F)c(F)c1)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is ZIGSJHCWBLGCMM-GLXQMMQGSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(18-12-3-2-11(6-12)8-19)9-20-13-4-5-14(16)15(17)7-13/h2-5,7,10-12,18-19H,6,8-9H2,1H3/t10?,11-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 283.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(3,4-difluorophenoxy)propan-2-ylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 75502644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).