1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol

C13H23F4NO2 — CID 106291617

IUPAC1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C13H23F4NO2/c1-9-2-4-11(5-3-9)20-7-10(19)6-18-8-13(16,17)12(14)15/h9-12,18-19H,2-8H2,1H3
InChIKeyJRZJXDZEQZKFJL-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.43
Rot. Bonds8

About 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol

1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (PubChem CID 106291617) has the molecular formula C13H23F4NO2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
PubChem CID106291617
Molecular FormulaC13H23F4NO2
Molecular Weight301.32 g/mol
Exact Mass301.17
IUPAC Name1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C13H23F4NO2/c1-9-2-4-11(5-3-9)20-7-10(19)6-18-8-13(16,17)12(14)15/h9-12,18-19H,2-8H2,1H3
InChIKeyJRZJXDZEQZKFJL-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
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
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-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (CID 106291617) is 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is CC1CCC(OCC(O)CNCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The InChIKey is JRZJXDZEQZKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO2/c1-9-2-4-11(5-3-9)20-7-10(19)6-18-8-13(16,17)12(14)15/h9-12,18-19H,2-8H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol has a molecular weight of 301.32 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is sourced from PubChem (CID 106291617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).