[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol

C17H21F2NO — CID 167878323

IUPAC[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
SMILESOC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1
InChIKeySLVIDCFWRWRNND-PYBGIAKNSA-N
MW293.36 g/mol
LogP2.93
Rot. Bonds5

About [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol

[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol (PubChem CID 167878323) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
PubChem CID167878323
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
SMILESOC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1
InChIKeySLVIDCFWRWRNND-PYBGIAKNSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol (CID 167878323) is [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol is OC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The InChIKey is SLVIDCFWRWRNND-PYBGIAKNSA-N. The full InChI is InChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1.
What are the key properties of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol has a molecular weight of 293.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol is sourced from PubChem (CID 167878323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).