[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol

C12H23F2NO2 — CID 82008854

IUPAC[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OCC(F)F)C1
InChIInChI=1S/C12H23F2NO2/c1-9(2)15-12(8-16)5-3-4-10(6-12)17-7-11(13)14/h9-11,15-16H,3-8H2,1-2H3
InChIKeyPHPSHBICYMBOJL-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.94
Rot. Bonds6

About [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 82008854) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID82008854
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OCC(F)F)C1
InChIInChI=1S/C12H23F2NO2/c1-9(2)15-12(8-16)5-3-4-10(6-12)17-7-11(13)14/h9-11,15-16H,3-8H2,1-2H3
InChIKeyPHPSHBICYMBOJL-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

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Related Compounds

[2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139072
[2-Ethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139282
[2-Propyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139283
[2-Propan-2-yl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139480
2-Methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol
CID 65337458
2-Methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277709
2-(Ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277710
2-Methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277941
[1-(Propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640201
[1-(Ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640274
[1-(Methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640275
[1-(Cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640352

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 82008854) is [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(OCC(F)F)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is PHPSHBICYMBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-9(2)15-12(8-16)5-3-4-10(6-12)17-7-11(13)14/h9-11,15-16H,3-8H2,1-2H3.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 251.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 82008854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).