1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

C9H16F3NO — CID 103148071

IUPAC1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-4-8(13)5-6-14-7-9(10,11)12/h2,8H,1,3-7,13H2
InChIKeyKGIPBPHHZCHROK-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.25
Rot. Bonds7

About 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (PubChem CID 103148071) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
PubChem CID103148071
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-4-8(13)5-6-14-7-9(10,11)12/h2,8H,1,3-7,13H2
InChIKeyKGIPBPHHZCHROK-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.25
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

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
1-(2,2,2-Trifluoroethoxy)hex-5-en-3-amine
CID 103147964
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-amine
CID 103148007
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
1-(2,2-Difluoroethoxy)oct-7-en-3-amine
CID 103148867

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (CID 103148071) is 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is C=CCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The InChIKey is KGIPBPHHZCHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-3-4-8(13)5-6-14-7-9(10,11)12/h2,8H,1,3-7,13H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.25, 7 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)hept-6-en-3-amine is sourced from PubChem (CID 103148071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).