N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine

C13H23F4NO — CID 103475959

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C13H23F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h3,11-12,18H,1,4-10H2,2H3
InChIKeyDPJQPHNJXBHCBJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.63
Rot. Bonds12

About N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine (PubChem CID 103475959) has the molecular formula C13H23F4NO and a molecular weight of 285.32 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
PubChem CID103475959
Molecular FormulaC13H23F4NO
Molecular Weight285.32 g/mol
Exact Mass285.17
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C13H23F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h3,11-12,18H,1,4-10H2,2H3
InChIKeyDPJQPHNJXBHCBJ-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine (CID 103475959) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine is C=CCCCC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
The InChIKey is DPJQPHNJXBHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO/c1-3-5-6-7-11(18-8-4-2)9-19-10-13(16,17)12(14)15/h3,11-12,18H,1,4-10H2,2H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine has a molecular weight of 285.32 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine is sourced from PubChem (CID 103475959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).