N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine

C12H24F3NO — CID 61490683

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-4-5-6-7-11(2)16-8-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyPPQILLMPHNPSQC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine (PubChem CID 61490683) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
PubChem CID61490683
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-4-5-6-7-11(2)16-8-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyPPQILLMPHNPSQC-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
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

N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
CID 71122372
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
CID 71228220
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-methoxyethyl)decan-1-amine
CID 87756808
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-methoxyethyl)decan-1-amine
CID 87786455
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
N-(2-ethoxyethyl)-4-fluorocyclohexan-1-amine
CID 167101591
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
3-(fluoromethyl)-N-[(4S)-octan-4-yl]oxetan-3-amine
CID 170061722
3-(fluoromethyl)-N-octan-4-yloxetan-3-amine
CID 170061961
4,4-difluoro-3-N-methyl-1-N-[2-(trifluoromethoxy)ethyl]hexane-1,3-diamine
CID 172334786

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine (CID 61490683) is N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine is CCCCCCC(C)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine?
The InChIKey is PPQILLMPHNPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-4-5-6-7-11(2)16-8-9-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine is sourced from PubChem (CID 61490683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).