1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine

C13H23F2NO — CID 103207504

IUPAC1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C13H23F2NO/c1-2-16-12(8-9-17-10-13(14)15)11-6-4-3-5-7-11/h6,12-13,16H,2-5,7-10H2,1H3
InChIKeyRWIJFQGPGRHTCZ-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.14
Rot. Bonds8

About 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine

1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine (PubChem CID 103207504) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
PubChem CID103207504
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C13H23F2NO/c1-2-16-12(8-9-17-10-13(14)15)11-6-4-3-5-7-11/h6,12-13,16H,2-5,7-10H2,1H3
InChIKeyRWIJFQGPGRHTCZ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.14
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-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55061872
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-amine
CID 65174408
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593
N-propyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148689
5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148725
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148753
1-(2,2-difluoroethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 103149287
1-(2,2-difluoroethoxy)-N,6-dimethylhept-6-en-3-amine
CID 103149334
1-(2,2-difluoroethoxy)-N-ethyloct-7-en-3-amine
CID 103149539

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine (CID 103207504) is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine is CCNC(CCOCC(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
The InChIKey is RWIJFQGPGRHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-2-16-12(8-9-17-10-13(14)15)11-6-4-3-5-7-11/h6,12-13,16H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine?
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 3.14, 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)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 103207504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).