1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol

C14H22F3NO2 — CID 79125014

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CC2CCC1O2
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)9-3-5-13(19,6-4-9)12(8-18)7-10-1-2-11(12)20-10/h9-11,19H,1-8,18H2
InChIKeyWXAPSQYFNOKMBW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.37
Rot. Bonds2

About 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125014) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125014
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CC2CCC1O2
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)9-3-5-13(19,6-4-9)12(8-18)7-10-1-2-11(12)20-10/h9-11,19H,1-8,18H2
InChIKeyWXAPSQYFNOKMBW-UHFFFAOYSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol with MolForge

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Related Compounds

1-[3-(Aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123712
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79124208
1-[3-(Aminomethyl)oxolan-3-yl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79126093
2-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-6,6,6-trifluorohexan-2-ol
CID 116536390
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylcyclohexan-1-ol
CID 79123456
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123689
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
CID 79123715
[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-methylcyclohexyl)methanol
CID 79123984
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dimethylcyclohexan-1-ol
CID 79124201
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-ethylcyclohexan-1-ol
CID 79124390
[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-methylcyclohexyl)methanol
CID 79124646
1-[2-(Aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol
CID 79124677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 79125014) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol is NCC1(C2(O)CCC(C(F)(F)F)CC2)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WXAPSQYFNOKMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)9-3-5-13(19,6-4-9)12(8-18)7-10-1-2-11(12)20-10/h9-11,19H,1-8,18H2.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 293.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).