[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol

C13H22F3NO2 — CID 64760062

IUPAC[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(NCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-3-1-5-12(7-10,9-18)17-8-11-4-2-6-19-11/h10-11,17-18H,1-9H2
InChIKeyGKIKOKQRQQMPTP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.24
Rot. Bonds4

About [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol

[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64760062) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64760062
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(NCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-3-1-5-12(7-10,9-18)17-8-11-4-2-6-19-11/h10-11,17-18H,1-9H2
InChIKeyGKIKOKQRQQMPTP-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
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-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol (CID 64760062) is [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol is OCC1(NCC2CCCO2)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is GKIKOKQRQQMPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-3-1-5-12(7-10,9-18)17-8-11-4-2-6-19-11/h10-11,17-18H,1-9H2.
What are the key properties of [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol?
[1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 281.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64760062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).