N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine

C13H21F6NO — CID 102721941

IUPACN-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H21F6NO/c1-2-7-20-10(9-5-3-4-6-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyIAPRQXBWGPRNNL-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.05
Rot. Bonds7

About N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine (PubChem CID 102721941) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine
PubChem CID102721941
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC NameN-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H21F6NO/c1-2-7-20-10(9-5-3-4-6-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyIAPRQXBWGPRNNL-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
2-(1,2,2,3,3,4,4,5,5-Nonafluorocyclopentyl)morpholine
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 N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine (CID 102721941) is N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine is CCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is IAPRQXBWGPRNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-2-7-20-10(9-5-3-4-6-9)8-21-11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3.
What are the key properties of N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 321.31 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 102721941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).