1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H18F3NO — CID 103207518

IUPAC1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8,15H2
InChIKeyVOQBZNDKTNUQOE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.78
Rot. Bonds4

About 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207518) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207518
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8,15H2
InChIKeyVOQBZNDKTNUQOE-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207499
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
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
1-(Cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207508
1-(Cyclopenten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207509
1-(Cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207510
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207518) is 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VOQBZNDKTNUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5,10H,1-4,6-8,15H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 237.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).