1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine

C13H24F3NO2 — CID 64548753

IUPAC1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine
SMILESNC1(COCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-18-10-12(17)6-3-1-2-4-7-12/h1-11,17H2
InChIKeySNSGVPOYDPYUJK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.02
Rot. Bonds7

About 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine

1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine (PubChem CID 64548753) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine
PubChem CID64548753
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine
SMILESNC1(COCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-18-10-12(17)6-3-1-2-4-7-12/h1-11,17H2
InChIKeySNSGVPOYDPYUJK-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62621970
1-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
1-(2,2,2-Trifluoroethoxymethyl)cycloheptan-1-amine
CID 64551698
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cycloheptan-1-amine
CID 64551705
1-(2,2-Difluoroethoxymethyl)cycloheptan-1-amine
CID 64551901
1-(3,3,3-Trifluoropropoxymethyl)cycloheptan-1-amine
CID 64565707
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclohexan-1-amine
CID 64572073
[1-[3-(2,2,2-Trifluoroethoxy)propoxy]cycloheptyl]methanamine
CID 65051373
1-[2-(Trifluoromethoxy)ethoxymethyl]cycloheptan-1-amine
CID 65804797
1-(2-Fluoroethoxymethyl)cycloheptan-1-amine
CID 80694930
1-(3-Fluoropropoxymethyl)cycloheptan-1-amine
CID 81113273
1-Cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216096

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine (CID 64548753) is 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine is NC1(COCCCOCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine?
The InChIKey is SNSGVPOYDPYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-18-10-12(17)6-3-1-2-4-7-12/h1-11,17H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine?
1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 64548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).