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

C13H22F3NO2 — CID 82957194

IUPAC[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-18)17-10-3-4-10/h10-11,17-18H,1-9H2
InChIKeyOTDACISKNYMMKI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.38
Rot. Bonds6

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

[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol (PubChem CID 82957194) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
PubChem CID82957194
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-18)17-10-3-4-10/h10-11,17-18H,1-9H2
InChIKeyOTDACISKNYMMKI-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
CID 82956736
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexyl]methanol
CID 79640652
[1-(cyclopropylamino)-3-(2-methylpropoxy)cyclopentyl]methanol
CID 79647999
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol (CID 82957194) is [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(OCCC(F)(F)F)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
The InChIKey is OTDACISKNYMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-18)17-10-3-4-10/h10-11,17-18H,1-9H2.
What are the key properties of [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol has a molecular weight of 281.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol is sourced from PubChem (CID 82957194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).