N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine

C15H28F3NO — CID 63474498

IUPACN-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1OCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-19-13-10-8-6-4-2-3-5-7-9-11-14(13)20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyUPFCLNJWEUJHSK-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.44
Rot. Bonds3

About N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine

N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine (PubChem CID 63474498) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine
PubChem CID63474498
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1OCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-19-13-10-8-6-4-2-3-5-7-9-11-14(13)20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyUPFCLNJWEUJHSK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine (CID 63474498) is N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine is CNC1CCCCCCCCCCC1OCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine?
The InChIKey is UPFCLNJWEUJHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-19-13-10-8-6-4-2-3-5-7-9-11-14(13)20-12-15(16,17)18/h13-14,19H,2-12H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine?
N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine is sourced from PubChem (CID 63474498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).