N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

C11H21F4NO — CID 103475741

IUPACN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C11H21F4NO/c1-3-5-6-9(16-4-2)7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3
InChIKeyATBOJAWFTICONO-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds10

About N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (PubChem CID 103475741) has the molecular formula C11H21F4NO and a molecular weight of 259.29 g/mol. Its IUPAC name is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
PubChem CID103475741
Molecular FormulaC11H21F4NO
Molecular Weight259.29 g/mol
Exact Mass259.16
IUPAC NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESCCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C11H21F4NO/c1-3-5-6-9(16-4-2)7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3
InChIKeyATBOJAWFTICONO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Amino-2,3,3,4,4,5,5-heptafluorohexoxy)ethyl-diethyl-methylazanium
CID 134276385
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
CID 166795986
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
N-(4,4-difluorocyclohexyl)oxan-3-amine
CID 169190982
(3S)-N-(4,4-difluorocyclohexyl)oxan-3-amine
CID 170213541
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
3,3-Difluoro-6-(methoxymethyl)-2-methylpiperidine
CID 171531275
4,4-difluoro-3-N-methyl-1-N-[2-(trifluoromethoxy)ethyl]hexane-1,3-diamine
CID 172334786
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
2-(Ethoxymethyl)-5,5-difluoropiperidine
CID 176568566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (CID 103475741) is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is CCCCC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The InChIKey is ATBOJAWFTICONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO/c1-3-5-6-9(16-4-2)7-17-8-11(14,15)10(12)13/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine has a molecular weight of 259.29 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is sourced from PubChem (CID 103475741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).