N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

C14H28F3NO — CID 55106988

IUPACN,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNCC
InChIInChI=1S/C14H28F3NO/c1-4-7-8-13(5-2,11-18-6-3)9-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyCUZRVWLMTLWBNZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds11

About N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (PubChem CID 55106988) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
PubChem CID55106988
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNCC
InChIInChI=1S/C14H28F3NO/c1-4-7-8-13(5-2,11-18-6-3)9-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyCUZRVWLMTLWBNZ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
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-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
N-ethyl-2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 55090935
2-methyl-N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106502
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The IUPAC name of N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (CID 55106988) is N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The canonical SMILES for N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is CCCCC(CC)(CCOCC(F)(F)F)CNCC.
What is the InChIKey of N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The InChIKey is CUZRVWLMTLWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-7-8-13(5-2,11-18-6-3)9-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3.
What are the key properties of N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 55106988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).