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

C9H16F3NO — CID 103215433

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

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

1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine (PubChem CID 103215433) 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-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
PubChem CID103215433
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
SMILESC=CCCCC(N)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-4-5-8(13)6-14-7-9(10,11)12/h2,8H,1,3-7,13H2
InChIKeyCYTMRSUTAPCPKT-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'}

Analyze 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-4,4-difluoro-7-methoxy-1-heptene
CID 20149450
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
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215432
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215437
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-(2,2,2-Trifluoroethoxy)hept-6-en-2-ylhydrazine
CID 103217531
4-Methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103474809

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine (CID 103215433) is 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine is C=CCCCC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The InChIKey is CYTMRSUTAPCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-3-4-5-8(13)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-2-amine?
1-(2,2,2-trifluoroethoxy)hept-6-en-2-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-2-amine is sourced from PubChem (CID 103215433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).