1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol

C12H20F3NO2 — CID 79123712

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-1-3-11(17,4-2-9)10(7-16)5-6-18-8-10/h9,17H,1-8,16H2
InChIKeyONKWEQYRHCIILT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.84
Rot. Bonds2

About 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79123712) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79123712
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-1-3-11(17,4-2-9)10(7-16)5-6-18-8-10/h9,17H,1-8,16H2
InChIKeyONKWEQYRHCIILT-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 79123712) is 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol is NCC1(C2(O)CCC(C(F)(F)F)CC2)CCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ONKWEQYRHCIILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-1-3-11(17,4-2-9)10(7-16)5-6-18-8-10/h9,17H,1-8,16H2.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 267.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79123712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).