N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

C11H22F3NO — CID 103214890

IUPACN-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(15-7-4-2)8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyJCHWUVOAFWLFNI-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds9

About N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 103214890) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID103214890
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(15-7-4-2)8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyJCHWUVOAFWLFNI-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 103214890) is N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is CCCCC(COCC(F)(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is JCHWUVOAFWLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-6-10(15-7-4-2)8-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 103214890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).