2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol

C9H18F3NO — CID 103660976

IUPAC2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-3-4-5-13(6-7-14)8-9(10,11)12/h14H,2-8H2,1H3
InChIKeyHPLOYEOBVVARJH-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds7

About 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol

2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103660976) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103660976
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-3-4-5-13(6-7-14)8-9(10,11)12/h14H,2-8H2,1H3
InChIKeyHPLOYEOBVVARJH-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
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

Ethanol, 2,2'-(hexylimino)bis-
CID 81229
1-Decanaminium, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-bis(2-hydroxyethyl)-N-methyl-, iodide (1:1)
CID 169375
Hexyl-(2-hydroxyethyl)-dimethylazanium
CID 10035083
2-(Dipentylamino)ethanol
CID 263079
2-Hydroxyethyl-dimethyl-pentylazanium bromide
CID 10800054
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl-bis(2-hydroxyethyl)-methylazanium
CID 169376
Hexyl(2-hydroxyethyl)dimethylammonium bromide
CID 132277652
Hexyl(2-hydroxyethyl)dimethylammonium tetrafluoroborate
CID 132278197
2-Hydroxyethyl-dimethyl-pentylazanium
CID 10800055
1-(Dibutylamino)-2,2,2-trifluoroethanol
CID 10857179
2-(4,4-Difluoropiperidin-1-yl)ethan-1-ol
CID 17964029
2-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl(2-hydroxyethyl)amino]ethanol
CID 20040751

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103660976) is 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol is CCCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is HPLOYEOBVVARJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-2-3-4-5-13(6-7-14)8-9(10,11)12/h14H,2-8H2,1H3.
What are the key properties of 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103660976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).