2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol

C10H19F3N2O — CID 107494961

IUPAC2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-15(6-7-16)9-2-1-4-14-5-3-9/h9,14,16H,1-8H2
InChIKeyPFPAVNWKPRRISH-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.99
Rot. Bonds4

About 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107494961) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107494961
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCCNCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-15(6-7-16)9-2-1-4-14-5-3-9/h9,14,16H,1-8H2
InChIKeyPFPAVNWKPRRISH-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-1-(2-hydroxyethyl)azepan-4-yl]azanium;2,2,2-trifluoroacetate
CID 68710064
5-(2,2,2-Trifluoroethylamino)azepan-4-ol
CID 152471481
2-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanol;hydrochloride
CID 155407813
2-[(4S)-4-aminoazepan-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 171929454
2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
CID 172334544
2-[2-(4,4-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol
CID 172335961
2-(4-Aminoazepan-1-yl)ethanol;2,2,2-trifluoroacetic acid
CID 173120655
2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
1-(Azepan-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 59835
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]ethanol
CID 43774123
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
CID 54993479
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol
CID 54993575

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107494961) is 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PFPAVNWKPRRISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-15(6-7-16)9-2-1-4-14-5-3-9/h9,14,16H,1-8H2.
What are the key properties of 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107494961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).