N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

C12H21F4NO — CID 103475729

IUPACN-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESC=C(CC)CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C12H21F4NO/c1-4-9(3)6-10(17-5-2)7-18-8-12(15,16)11(13)14/h10-11,17H,3-8H2,1-2H3
InChIKeyIWOXOLZTZQTQIR-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.24
Rot. Bonds10

About N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine

N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (PubChem CID 103475729) has the molecular formula C12H21F4NO and a molecular weight of 271.30 g/mol. Its IUPAC name is N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
PubChem CID103475729
Molecular FormulaC12H21F4NO
Molecular Weight271.30 g/mol
Exact Mass271.16
IUPAC NameN-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
SMILESC=C(CC)CC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C12H21F4NO/c1-4-9(3)6-10(17-5-2)7-18-8-12(15,16)11(13)14/h10-11,17H,3-8H2,1-2H3
InChIKeyIWOXOLZTZQTQIR-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593
5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148725
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148753
1-(2,2-difluoroethoxy)-N,5-dimethylhex-5-en-3-amine
CID 103149149
1-(2,2-difluoroethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 103149287
1-(2,2-difluoroethoxy)-N,6-dimethylhept-6-en-3-amine
CID 103149334
1-(2,2-difluoroethoxy)-N-ethyl-5-methylhex-5-en-3-amine
CID 103149485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The IUPAC name of N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine (CID 103475729) is N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is C=C(CC)CC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
The InChIKey is IWOXOLZTZQTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO/c1-4-9(3)6-10(17-5-2)7-18-8-12(15,16)11(13)14/h10-11,17H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine?
N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine is sourced from PubChem (CID 103475729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).