2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol

C9H19FN2O — CID 80695797

IUPAC2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-5-11-3-1-4-12(7-6-11)8-9-13/h13H,1-9H2
InChIKeyJRKMFHMDHLGGBE-UHFFFAOYSA-N
MW190.26 g/mol
LogP-0.04
Rot. Bonds4

About 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol

2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol (PubChem CID 80695797) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
PubChem CID80695797
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCF)CC1
InChIInChI=1S/C9H19FN2O/c10-2-5-11-3-1-4-12(7-6-11)8-9-13/h13H,1-9H2
InChIKeyJRKMFHMDHLGGBE-UHFFFAOYSA-N
XLogP-0.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
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2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
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2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
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bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040
methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol (CID 80695797) is 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is JRKMFHMDHLGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c10-2-5-11-3-1-4-12(7-6-11)8-9-13/h13H,1-9H2.
What are the key properties of 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol?
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 190.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 80695797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).