[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

C13H22F3NO2 — CID 79640352

IUPAC[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(OC1CCCC(CO)(NC2CC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-9(13(14,15)16)19-11-3-2-6-12(7-11,8-18)17-10-4-5-10/h9-11,17-18H,2-8H2,1H3
InChIKeyPNSUMCOHMIBVSO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.38
Rot. Bonds5

About [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640352) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640352
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(OC1CCCC(CO)(NC2CC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-9(13(14,15)16)19-11-3-2-6-12(7-11,8-18)17-10-4-5-10/h9-11,17-18H,2-8H2,1H3
InChIKeyPNSUMCOHMIBVSO-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol with MolForge

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Related Compounds

[2-Ethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139282
2-(Cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66278159
[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-(Propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640429
[1-(Propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
CID 79640498
[1-(Ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
CID 79640499
[1-(Methylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
CID 79640576
[1-(Cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
CID 79640577
[1-(Propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
CID 79640662
[3-(2,2-Difluoroethoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 82008854

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640352) is [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CC(OC1CCCC(CO)(NC2CC2)C1)C(F)(F)F.
What is the InChIKey of [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is PNSUMCOHMIBVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9(13(14,15)16)19-11-3-2-6-12(7-11,8-18)17-10-4-5-10/h9-11,17-18H,2-8H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 281.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).