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

C12H20F3NO — CID 114153943

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1=CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h4,16H,1-3,5-10H2
InChIKeyHAIFSWYBCFKTDN-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.05
Rot. Bonds8

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

N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 114153943) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID114153943
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1=CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h4,16H,1-3,5-10H2
InChIKeyHAIFSWYBCFKTDN-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.05
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-(cyclopenten-1-yl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 106174186
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491191
N-(cyclohexylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762872
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
5-[2-(cyclopenten-1-yl)ethylamino]-2,2-dimethylpentanenitrile
CID 106174040
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 114153943) is N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is HAIFSWYBCFKTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h4,16H,1-3,5-10H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 114153943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).