N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine

C15H27F4NO — CID 107009844

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C15H27F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h3,13-14,20H,1,4-12H2,2H3
InChIKeyMWPYSEKBNSEFIT-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.41
Rot. Bonds14

About N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine (PubChem CID 107009844) has the molecular formula C15H27F4NO and a molecular weight of 313.38 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
PubChem CID107009844
Molecular FormulaC15H27F4NO
Molecular Weight313.38 g/mol
Exact Mass313.20
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C15H27F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h3,13-14,20H,1,4-12H2,2H3
InChIKeyMWPYSEKBNSEFIT-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.41
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)non-8-en-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine (CID 107009844) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine is C=CCCCCCC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
The InChIKey is MWPYSEKBNSEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F4NO/c1-3-5-6-7-8-9-13(20-10-4-2)11-21-12-15(18,19)14(16)17/h3,13-14,20H,1,4-12H2,2H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine has a molecular weight of 313.38 g/mol, XLogP of 4.41, 14 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)non-8-en-2-amine is sourced from PubChem (CID 107009844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).