N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine

C12H22F3NO — CID 105024350

IUPACN-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1COC(C)C1
InChIInChI=1S/C12H22F3NO/c1-3-16-11(5-4-6-12(13,14)15)10-7-9(2)17-8-10/h9-11,16H,3-8H2,1-2H3
InChIKeyILZKFSBFLYJPQH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine (PubChem CID 105024350) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
PubChem CID105024350
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1COC(C)C1
InChIInChI=1S/C12H22F3NO/c1-3-16-11(5-4-6-12(13,14)15)10-7-9(2)17-8-10/h9-11,16H,3-8H2,1-2H3
InChIKeyILZKFSBFLYJPQH-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine (CID 105024350) is N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)C1COC(C)C1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
The InChIKey is ILZKFSBFLYJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-16-11(5-4-6-12(13,14)15)10-7-9(2)17-8-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105024350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).