[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C12H22F3NO — CID 62724691

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2
InChIKeyYIFJBGUVCJIHJR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 62724691) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID62724691
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2
InChIKeyYIFJBGUVCJIHJR-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(Aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
CID 175375923
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
[3-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-3-yl]methanamine
CID 55150867
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723497
2,2-Diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723900
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724282
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 62724582
[4-Tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724702
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724778
[4-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724900
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724916

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 62724691) is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is NCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is YIFJBGUVCJIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).