4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol

C9H16F3NO — CID 83916810

IUPAC4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(14,5-3-7)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyVPQCRPMOMDRHDX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds2

About 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol

4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 83916810) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID83916810
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCNCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(14,5-3-7)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyVPQCRPMOMDRHDX-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol (CID 83916810) is 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol is CNCC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is VPQCRPMOMDRHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(14,5-3-7)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 83916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).