1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C13H21F4NO — CID 106654847

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCC1
InChIInChI=1S/C13H21F4NO/c1-2-18-11(10-6-4-3-5-7-10)8-19-9-13(16,17)12(14)15/h6,11-12,18H,2-5,7-9H2,1H3
InChIKeyRJJRCZYCULAUPW-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.38
Rot. Bonds8

About 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 106654847) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID106654847
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCC1
InChIInChI=1S/C13H21F4NO/c1-2-18-11(10-6-4-3-5-7-10)8-19-9-13(16,17)12(14)15/h6,11-12,18H,2-5,7-9H2,1H3
InChIKeyRJJRCZYCULAUPW-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine 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

2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 106654847) is 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is RJJRCZYCULAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c1-2-18-11(10-6-4-3-5-7-10)8-19-9-13(16,17)12(14)15/h6,11-12,18H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 283.31 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 106654847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).