N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

C11H19F4NO — CID 103475545

IUPACN,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H19F4NO/c1-8(2)4-5-9(16-3)6-17-7-11(14,15)10(12)13/h9-10,16H,1,4-7H2,2-3H3
InChIKeyQWYVXIGQNRKLQN-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.85
Rot. Bonds9

About N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (PubChem CID 103475545) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
PubChem CID103475545
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H19F4NO/c1-8(2)4-5-9(16-3)6-17-7-11(14,15)10(12)13/h9-10,16H,1,4-7H2,2-3H3
InChIKeyQWYVXIGQNRKLQN-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.85
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

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
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,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The IUPAC name of N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (CID 103475545) is N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.
What is the SMILES notation for N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The canonical SMILES for N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is C=C(C)CCC(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The InChIKey is QWYVXIGQNRKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-8(2)4-5-9(16-3)6-17-7-11(14,15)10(12)13/h9-10,16H,1,4-7H2,2-3H3.
What are the key properties of N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine has a molecular weight of 257.27 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is sourced from PubChem (CID 103475545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).