1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C12H23F2NO2 — CID 113303747

IUPAC1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCC(F)F)CC1
InChIInChI=1S/C12H23F2NO2/c1-9-2-4-11(5-3-9)17-8-10(16)6-15-7-12(13)14/h9-12,15-16H,2-8H2,1H3
InChIKeyVRYZMCVCXFXXOC-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.80
Rot. Bonds7

About 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 113303747) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID113303747
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCC(F)F)CC1
InChIInChI=1S/C12H23F2NO2/c1-9-2-4-11(5-3-9)17-8-10(16)6-15-7-12(13)14/h9-12,15-16H,2-8H2,1H3
InChIKeyVRYZMCVCXFXXOC-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 113303747) is 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(OCC(O)CNCC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is VRYZMCVCXFXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-9-2-4-11(5-3-9)17-8-10(16)6-15-7-12(13)14/h9-12,15-16H,2-8H2,1H3.
What are the key properties of 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 251.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 113303747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).