N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine

C12H22F3NO — CID 79953767

IUPACN-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C12H22F3NO/c1-2-16-11(3-6-12(13,14)15)9-10-4-7-17-8-5-10/h10-11,16H,2-9H2,1H3
InChIKeyKMPHOTKMKQEDRJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine

N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine (PubChem CID 79953767) 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-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
PubChem CID79953767
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C12H22F3NO/c1-2-16-11(3-6-12(13,14)15)9-10-4-7-17-8-5-10/h10-11,16H,2-9H2,1H3
InChIKeyKMPHOTKMKQEDRJ-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

N-Cyclohexyl-4-[(2,2,2-trifluoroethoxy)methyl]cyclohexan-1-amine
CID 67483668
6-(4-Decoxycyclohexyl)-2-fluoro-3-octylpiperidine
CID 140413961
2-Fluoro-6-(4-hexoxycyclohexyl)-3-octylpiperidine
CID 140413965
3-Decyl-2-fluoro-6-(4-octoxycyclohexyl)piperidine
CID 140413970
2-(3-Fluoro-4-octoxycyclohexyl)-5-heptylpiperidine
CID 140674225
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
3-(Difluoromethoxymethyl)-2-propan-2-ylpiperidine
CID 170771809
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
CID 171531443
3-Tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine
CID 176833189
2-Tert-butyl-6-(difluoromethoxy)piperidine
CID 176833783

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine (CID 79953767) is N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine is CCNC(CCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is KMPHOTKMKQEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-16-11(3-6-12(13,14)15)9-10-4-7-17-8-5-10/h10-11,16H,2-9H2,1H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-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-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 79953767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).