2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol

C12H22F3NO2 — CID 114277662

IUPAC2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCOC(F)(F)F)C1O
InChIInChI=1S/C12H22F3NO2/c1-10(2)4-3-5-11(8-16,9(10)17)6-7-18-12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyMKEUWFHVZRSZFT-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.43
Rot. Bonds4

About 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol

2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol (PubChem CID 114277662) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol
PubChem CID114277662
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCOC(F)(F)F)C1O
InChIInChI=1S/C12H22F3NO2/c1-10(2)4-3-5-11(8-16,9(10)17)6-7-18-12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyMKEUWFHVZRSZFT-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol (CID 114277662) is 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol is CC1(C)CCCC(CN)(CCOC(F)(F)F)C1O.
What is the InChIKey of 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol?
The InChIKey is MKEUWFHVZRSZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10(2)4-3-5-11(8-16,9(10)17)6-7-18-12(13,14)15/h9,17H,3-8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol?
2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 114277662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).