2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine

C11H19F2NO — CID 116662418

IUPAC2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2NO/c1-15-8-7-14-9-11(12,13)10-5-3-2-4-6-10/h5,14H,2-4,6-9H2,1H3
InChIKeyJZNCTROMWCYASC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.36
Rot. Bonds6

About 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine

2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine (PubChem CID 116662418) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
PubChem CID116662418
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2NO/c1-15-8-7-14-9-11(12,13)10-5-3-2-4-6-10/h5,14H,2-4,6-9H2,1H3
InChIKeyJZNCTROMWCYASC-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.36
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
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
3-[2-(Cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63899845
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607147
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607314
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 80605900
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine (CID 116662418) is 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine is COCCNCC(F)(F)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The InChIKey is JZNCTROMWCYASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-15-8-7-14-9-11(12,13)10-5-3-2-4-6-10/h5,14H,2-4,6-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine has a molecular weight of 219.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 116662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).