[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol

C11H21F3N2O — CID 116634298

IUPAC[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
SMILESNCCC(N1CCCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-3-1-2-4-9(16)8-17/h9-10,17H,1-8,15H2
InChIKeyHHAORSFFVKLTRZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds4

About [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol

[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol (PubChem CID 116634298) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
PubChem CID116634298
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
SMILESNCCC(N1CCCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-3-1-2-4-9(16)8-17/h9-10,17H,1-8,15H2
InChIKeyHHAORSFFVKLTRZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-4,4-difluoroazepan-2-yl]methanol
CID 172288494
2-(2,2,2-Trifluoroethylamino)heptan-1-ol
CID 61045290
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]methanol
CID 61406587
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
CID 103366473
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanethioamide
CID 103368837
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]cycloheptan-1-ol
CID 104280185
(5-Fluoroazepan-2-yl)methanol
CID 105429050
(5,5-Difluoroazepan-2-yl)methanol
CID 105432607
2-[Azepan-4-yl(2,2-difluoroethyl)amino]ethanol
CID 107494943
2-[Azepan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107494961
2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
CID 113637271
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634120

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol (CID 116634298) is [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol is NCCC(N1CCCCCC1CO)C(F)(F)F.
What is the InChIKey of [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol?
The InChIKey is HHAORSFFVKLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10(5-6-15)16-7-3-1-2-4-9(16)8-17/h9-10,17H,1-8,15H2.
What are the key properties of [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol?
[1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116634298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).