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

C13H24F3NO2 — CID 79640201

IUPAC[1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-3-7-17-12(9-18)6-4-5-11(8-12)19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyKYAUXTOAHGFXSZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds6

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

[1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640201) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640201
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-3-7-17-12(9-18)6-4-5-11(8-12)19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyKYAUXTOAHGFXSZ-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640201) is [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CCCNC1(CO)CCCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is KYAUXTOAHGFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-3-7-17-12(9-18)6-4-5-11(8-12)19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).