N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H22F3NO — CID 55061872

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1=CCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h5,17H,1-4,6-11H2
InChIKeyPNHSIFFVWOGLKV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 55061872) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID55061872
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1=CCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h5,17H,1-4,6-11H2
InChIKeyPNHSIFFVWOGLKV-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.44
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]-3,3,3-trifluoropropan-1-amine
CID 60694945
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
N-[2-(cyclohexen-1-yl)ethyl]-2,2-difluoroethanamine
CID 62326172
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62326351
N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohex-3-en-1-amine
CID 65700282
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106173802

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 55061872) is N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is PNHSIFFVWOGLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h5,17H,1-4,6-11H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 55061872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).