1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine

C13H15F4NO — CID 103289339

IUPAC1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
SMILESNC(COc1c(F)c(F)cc(F)c1F)C1CCCC1
InChIInChI=1S/C13H15F4NO/c14-8-5-9(15)12(17)13(11(8)16)19-6-10(18)7-3-1-2-4-7/h5,7,10H,1-4,6,18H2
InChIKeyPDPZUNFURPZYRA-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine

1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine (PubChem CID 103289339) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
PubChem CID103289339
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
SMILESNC(COc1c(F)c(F)cc(F)c1F)C1CCCC1
InChIInChI=1S/C13H15F4NO/c14-8-5-9(15)12(17)13(11(8)16)19-6-10(18)7-3-1-2-4-7/h5,7,10H,1-4,6,18H2
InChIKeyPDPZUNFURPZYRA-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 104749742
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine (CID 103289339) is 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine is NC(COc1c(F)c(F)cc(F)c1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine?
The InChIKey is PDPZUNFURPZYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-8-5-9(15)12(17)13(11(8)16)19-6-10(18)7-3-1-2-4-7/h5,7,10H,1-4,6,18H2.
What are the key properties of 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine?
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine has a molecular weight of 277.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine is sourced from PubChem (CID 103289339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).