N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine

C9H16F3NO — CID 137346893

IUPACN-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine
SMILESCNCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyZFLMBOAIGUWHFT-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.30
Rot. Bonds3

About N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine

N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine (PubChem CID 137346893) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine
PubChem CID137346893
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine
SMILESCNCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyZFLMBOAIGUWHFT-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine (CID 137346893) is N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine is CNCC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine?
The InChIKey is ZFLMBOAIGUWHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine?
N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine has a molecular weight of 211.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 137346893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).