[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol

C11H21F3N2O — CID 103366473

IUPAC[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
SMILESNCC(CN1CCCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9(6-15)7-16-5-3-1-2-4-10(16)8-17/h9-10,17H,1-8,15H2
InChIKeyWSRFHZGIBCCTQA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.36
Rot. Bonds4

About [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol

[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol (PubChem CID 103366473) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
PubChem CID103366473
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
SMILESNCC(CN1CCCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9(6-15)7-16-5-3-1-2-4-10(16)8-17/h9-10,17H,1-8,15H2
InChIKeyWSRFHZGIBCCTQA-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4,4-difluoroazepan-2-yl]methanol
CID 172288494
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]ethanol
CID 103366083
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol
CID 103366192
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanethioamide
CID 103368837
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370835
(5,5-Difluoroazepan-2-yl)methanol
CID 105432607
3-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-2-yl]propan-1-ol
CID 113807358
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanenitrile
CID 113807706
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634120
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)azepan-2-yl]methanol
CID 116634245
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)azepan-2-yl]methanol
CID 116634251
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol (CID 103366473) is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol is NCC(CN1CCCCCC1CO)C(F)(F)F.
What is the InChIKey of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol?
The InChIKey is WSRFHZGIBCCTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)9(6-15)7-16-5-3-1-2-4-10(16)8-17/h9-10,17H,1-8,15H2.
What are the key properties of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol?
[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol has a molecular weight of 254.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol is sourced from PubChem (CID 103366473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).