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

C14H23F4NO — CID 106654846

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C14H23F4NO/c1-2-19-12(11-7-5-3-4-6-8-11)9-20-10-14(17,18)13(15)16/h7,12-13,19H,2-6,8-10H2,1H3
InChIKeyZHUJFNXWDJVKIS-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.77
Rot. Bonds8

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

1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 106654846) has the molecular formula C14H23F4NO and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID106654846
Molecular FormulaC14H23F4NO
Molecular Weight297.34 g/mol
Exact Mass297.17
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C14H23F4NO/c1-2-19-12(11-7-5-3-4-6-8-11)9-20-10-14(17,18)13(15)16/h7,12-13,19H,2-6,8-10H2,1H3
InChIKeyZHUJFNXWDJVKIS-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.77
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'}

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654843
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106649725
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 106654846) is 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is ZHUJFNXWDJVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F4NO/c1-2-19-12(11-7-5-3-4-6-8-11)9-20-10-14(17,18)13(15)16/h7,12-13,19H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 297.34 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 106654846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).