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

C12H19F4NO — CID 106654842

IUPAC1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C12H19F4NO/c13-11(14)12(15,16)8-18-7-10(17)9-5-3-1-2-4-6-9/h5,10-11H,1-4,6-8,17H2
InChIKeyGEVJTYSMXQSLBV-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.12
Rot. Bonds6

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

1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 106654842) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID106654842
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C12H19F4NO/c13-11(14)12(15,16)8-18-7-10(17)9-5-3-1-2-4-6-9/h5,10-11H,1-4,6-8,17H2
InChIKeyGEVJTYSMXQSLBV-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.12
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-(cyclohepten-1-yl)-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

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-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207518

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 106654842) is 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is GEVJTYSMXQSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c13-11(14)12(15,16)8-18-7-10(17)9-5-3-1-2-4-6-9/h5,10-11H,1-4,6-8,17H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 269.28 g/mol, XLogP of 3.12, 6 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-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 106654842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).