N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine

C14H26F3NO — CID 107009841

IUPACN-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-10-4-2)11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3
InChIKeyDWIUSVQTMBGNNV-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.07
Rot. Bonds12

About N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine

N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (PubChem CID 107009841) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
PubChem CID107009841
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-10-4-2)11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3
InChIKeyDWIUSVQTMBGNNV-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The IUPAC name of N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (CID 107009841) is N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The canonical SMILES for N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is C=CCCCCCC(COCC(F)(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The InChIKey is DWIUSVQTMBGNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-10-4-2)11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3.
What are the key properties of N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is sourced from PubChem (CID 107009841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).