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

C12H22F3NO2 — CID 79640498

IUPAC[1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-2-6-16-11(8-17)5-3-4-10(7-11)18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyRSVHIBOCPSQVGF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds6

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

[1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (PubChem CID 79640498) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
PubChem CID79640498
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-2-6-16-11(8-17)5-3-4-10(7-11)18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyRSVHIBOCPSQVGF-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The IUPAC name of [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (CID 79640498) is [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is CCCNC1(CO)CCCC(OCC(F)(F)F)C1.
What is the InChIKey of [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The InChIKey is RSVHIBOCPSQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-6-16-11(8-17)5-3-4-10(7-11)18-9-12(13,14)15/h10,16-17H,2-9H2,1H3.
What are the key properties of [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
[1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).