4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NO — CID 84735667

IUPAC4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNC(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(14-2)8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyBUJZDTWXZOROCT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds2

About 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol

4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 84735667) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID84735667
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNC(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(14-2)8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyBUJZDTWXZOROCT-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol (CID 84735667) is 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol is CNC(C)C1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BUJZDTWXZOROCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(14-2)8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol?
4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 84735667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).