N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine

C13H24F3NO — CID 106705995

IUPACN-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17-8-12(6-4-3-5-7-12)9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyBQHMHQLFTIEMIH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 106705995) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID106705995
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17-8-12(6-4-3-5-7-12)9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyBQHMHQLFTIEMIH-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine (CID 106705995) is N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(COCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is BQHMHQLFTIEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2)17-8-12(6-4-3-5-7-12)9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 106705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).