2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol

C12H24F3NO — CID 115517280

IUPAC2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-11(4-2,10-17)9-16-8-6-5-7-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyGSMDSUKPPJUBEC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds9

About 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol

2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol (PubChem CID 115517280) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
PubChem CID115517280
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-11(4-2,10-17)9-16-8-6-5-7-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyGSMDSUKPPJUBEC-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
CID 82942000
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanenitrile
CID 81413168
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol (CID 115517280) is 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol is CCC(CC)(CO)CNCCCCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol?
The InChIKey is GSMDSUKPPJUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-11(4-2,10-17)9-16-8-6-5-7-12(13,14)15/h16-17H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol?
2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol is sourced from PubChem (CID 115517280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).