1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine

C12H19F6NO — CID 102721868

IUPAC1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H19F6NO/c1-2-19-9(8-5-3-4-6-8)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeyNYXDIQHDKSQELO-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.66
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine

1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine (PubChem CID 102721868) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
PubChem CID102721868
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC Name1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H19F6NO/c1-2-19-9(8-5-3-4-6-8)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeyNYXDIQHDKSQELO-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 73994595
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CID 19805676
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N-ethyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756097
N,4-diethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756100
4-ethyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756907
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine (CID 102721868) is 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine is CCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
The InChIKey is NYXDIQHDKSQELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-2-19-9(8-5-3-4-6-8)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine?
1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine has a molecular weight of 307.28 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 102721868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).