1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

C12H22F3NO2 — CID 60632467

IUPAC1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9-4-2-3-5-11(9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyAIRONPZILALPAG-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds6

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

1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632467) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632467
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9-4-2-3-5-11(9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyAIRONPZILALPAG-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 55173979
CID 55173979
CID 60632382
CID 60632382
CID 60632509
CID 60632509
CID 60632510
CID 60632510
CID 60632593
CID 60632593
CID 60632594
CID 60632594
CID 60632637
CID 60632637
CID 60632638
CID 60632638
CID 60632682
CID 60632682
CID 60729481
CID 60729481
CID 60729530
CID 60729530
CID 60729532
CID 60729532

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632467) is 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is CC1CCCCC1OCC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is AIRONPZILALPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9-4-2-3-5-11(9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).