[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol

C13H24F3NO2 — CID 82957034

IUPAC[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-2-7-17-12(10-18)5-3-4-11(9-12)19-8-6-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyUSHUIBVVFNBAIA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds7

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

[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol (PubChem CID 82957034) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
PubChem CID82957034
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-2-7-17-12(10-18)5-3-4-11(9-12)19-8-6-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyUSHUIBVVFNBAIA-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957194
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982

Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The IUPAC name of [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol (CID 82957034) is [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol is CCCNC1(CO)CCCC(OCCC(F)(F)F)C1.
What is the InChIKey of [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The InChIKey is USHUIBVVFNBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-7-17-12(10-18)5-3-4-11(9-12)19-8-6-13(14,15)16/h11,17-18H,2-10H2,1H3.
What are the key properties of [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol is sourced from PubChem (CID 82957034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).