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

C12H19F6NO — CID 102722996

IUPACN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H19F6NO/c1-2-7-19-8-10(5-3-4-6-10)20-9(11(13,14)15)12(16,17)18/h9,19H,2-8H2,1H3
InChIKeyRVIOAKZTKNOXKA-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.81
Rot. Bonds6

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

N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine (PubChem CID 102722996) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine
PubChem CID102722996
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H19F6NO/c1-2-7-19-8-10(5-3-4-6-10)20-9(11(13,14)15)12(16,17)18/h9,19H,2-8H2,1H3
InChIKeyRVIOAKZTKNOXKA-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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]propan-1-amine?
The IUPAC name of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine (CID 102722996) is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine is CCCNCC1(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]propan-1-amine?
The InChIKey is RVIOAKZTKNOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-2-7-19-8-10(5-3-4-6-10)20-9(11(13,14)15)12(16,17)18/h9,19H,2-8H2,1H3.
What are the key properties of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine?
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine has a molecular weight of 307.28 g/mol, XLogP of 3.81, 6 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]propan-1-amine is sourced from PubChem (CID 102722996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).