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

C14H28F3NO — CID 103214874

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
SMILESCCCCCCCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-13(18-2)11-19-12-14(15,16)17/h13,18H,3-12H2,1-2H3
InChIKeyKPLPVPDCSQAZCW-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.29
Rot. Bonds12

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

N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine (PubChem CID 103214874) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
PubChem CID103214874
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
SMILESCCCCCCCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-13(18-2)11-19-12-14(15,16)17/h13,18H,3-12H2,1-2H3
InChIKeyKPLPVPDCSQAZCW-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.29
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

1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
CID 107009840
1-ethoxy-N-methyltridecan-2-amine
CID 105008040
5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103215423
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64802406
N-methyl-1-(2,2,2-trifluoroethoxy)hept-5-yn-2-amine
CID 103216232
N-methyl-1-propan-2-yloxyundecan-2-amine
CID 105013250
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-methyloctadecan-3-amine
CID 150460863

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine (CID 103214874) is N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine is CCCCCCCCCC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine?
The InChIKey is KPLPVPDCSQAZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-13(18-2)11-19-12-14(15,16)17/h13,18H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine has a molecular weight of 283.38 g/mol, XLogP of 4.29, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine is sourced from PubChem (CID 103214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).