2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol

C13H25F2NO3 — CID 106176234

IUPAC2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
SMILESCC1CCC(OCC(O)CNCC(F)(F)CO)CC1
InChIInChI=1S/C13H25F2NO3/c1-10-2-4-12(5-3-10)19-7-11(18)6-16-8-13(14,15)9-17/h10-12,16-18H,2-9H2,1H3
InChIKeyJUCOPFLJYGWAFF-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.16
Rot. Bonds8

About 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol

2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol (PubChem CID 106176234) has the molecular formula C13H25F2NO3 and a molecular weight of 281.34 g/mol. Its IUPAC name is 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
PubChem CID106176234
Molecular FormulaC13H25F2NO3
Molecular Weight281.34 g/mol
Exact Mass281.18
IUPAC Name2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
SMILESCC1CCC(OCC(O)CNCC(F)(F)CO)CC1
InChIInChI=1S/C13H25F2NO3/c1-10-2-4-12(5-3-10)19-7-11(18)6-16-8-13(14,15)9-17/h10-12,16-18H,2-9H2,1H3
InChIKeyJUCOPFLJYGWAFF-UHFFFAOYSA-N
XLogP1.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol with MolForge

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79562330
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol (CID 106176234) is 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol is CC1CCC(OCC(O)CNCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol?
The InChIKey is JUCOPFLJYGWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO3/c1-10-2-4-12(5-3-10)19-7-11(18)6-16-8-13(14,15)9-17/h10-12,16-18H,2-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol?
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol has a molecular weight of 281.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol is sourced from PubChem (CID 106176234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).