N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine

C11H17F6NO — CID 102722997

IUPACN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F6NO/c1-2-18-7-9(5-3-4-6-9)19-8(10(12,13)14)11(15,16)17/h8,18H,2-7H2,1H3
InChIKeyMOXCDLZRHBQOSE-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.42
Rot. Bonds5

About N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine

N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine (PubChem CID 102722997) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
PubChem CID102722997
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F6NO/c1-2-18-7-9(5-3-4-6-9)19-8(10(12,13)14)11(15,16)17/h8,18H,2-7H2,1H3
InChIKeyMOXCDLZRHBQOSE-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.42
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
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490395
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490524
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
CID 62110920
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine (CID 102722997) is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine is CCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine?
The InChIKey is MOXCDLZRHBQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-2-18-7-9(5-3-4-6-9)19-8(10(12,13)14)11(15,16)17/h8,18H,2-7H2,1H3.
What are the key properties of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine?
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine has a molecular weight of 293.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 102722997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).