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

C11H20F3NO — CID 107009839

IUPAC1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(N)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2,10H,1,3-9,15H2
InChIKeyPWNQOCKIVBNHGR-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.03
Rot. Bonds9

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

1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (PubChem CID 107009839) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
PubChem CID107009839
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(N)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2,10H,1,3-9,15H2
InChIKeyPWNQOCKIVBNHGR-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.03
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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Related Compounds

1-(2,2,2-Trifluoroethoxy)oct-7-en-3-amine
CID 103148007
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-amine
CID 103148071
1-(2,2-Difluoroethoxy)oct-7-en-3-amine
CID 103148867
1-(2,2-Difluoroethoxy)hept-6-en-3-amine
CID 103148953
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207518
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-amine
CID 103215433
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-amine
CID 103215440
4-Methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215737
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216261
1-(2,2,3,3-Tetrafluoropropoxy)hept-6-en-2-amine
CID 103475161
1-(2,2,3,3-Tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (CID 107009839) is 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is C=CCCCCCC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The InChIKey is PWNQOCKIVBNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-3-4-5-6-7-10(15)8-16-9-11(12,13)14/h2,10H,1,3-9,15H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
1-(2,2,2-trifluoroethoxy)non-8-en-2-amine has a molecular weight of 239.28 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is sourced from PubChem (CID 107009839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).