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

C13H24F3NO2 — CID 79640429

IUPAC[1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-9(2)17-12(8-18)6-4-5-11(7-12)19-10(3)13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyVQFXCFCAUUPLFU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds5

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

[1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640429) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640429
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-9(2)17-12(8-18)6-4-5-11(7-12)19-10(3)13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyVQFXCFCAUUPLFU-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640429) is [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is VQFXCFCAUUPLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-9(2)17-12(8-18)6-4-5-11(7-12)19-10(3)13(14,15)16/h9-11,17-18H,4-8H2,1-3H3.
What are the key properties of [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).